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CHEBI:64343 - trans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile

ChEBI IDCHEBI:64343
ChEBI Nametrans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile
Stars
ASCII Nametrans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile
DefinitionA dinitrile that is tert-butylbenzene in which the hydrogen at the para- position is substituted by a 4,4-dicyano-2-methylbuta-1,3-dien-1-yl group (the trans isomer). It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry.
Last Modified5 April 2012
Submittergerma2
DownloadsMolfile
FormulaC17H18N2
Net Charge0
Average Mass250.345
Monoisotopic Mass250.14700
SMILESC/C(C=C(C#N)C#N)=C\c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H18N2/c1-13(10-15(11-18)12-19)9-14-5-7-16(8-6-14)17(2,3)4/h5-10H,1-4H3/b13-9+
InChIKeyOIASAVWSBWJWBR-UKTHLTGXSA-N
Roles Classification
Application:
MALDI matrix material  A compound used to form the matrix for MALDI (matrix-assisted laser desorption/ionization) mass spectrometry. MALDI matrix materials are crystalline compounds with a fairly low molecular weight, so as to allow facile vaporization, have strong absorption at UV or IR wavelengths (to rapidly and efficiently absorb laser irradiation), generally contain polar groups (enabling them to be used in aqueous solutions) and are frequently acidic (so assisting ionisation of the compound being studied, which is contained within the matrix material).
ChEBI Ontology
Outgoing Relation(s)
trans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile (CHEBI:64343) has role MALDI matrix material (CHEBI:64345)
trans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile (CHEBI:64343) is a dinitrile (CHEBI:51308)
IUPAC Name 
[(2E)-3-(4-tert-butylphenyl)-2-methylprop-2-en-1-ylidene]propanedinitrile
Synonyms  Source
(2E)-2-[3-(4-tert-butylphenyl)-2-methylprop-2-en-1-ylidene]malononitrileChEBI
DCTBSUBMITTER
trans-2-[3-(4-t-butylphenyl)-2-methyl-2-propenylidene]malononitrileChEBI
Registry NumbersSources
Reaxys:8913051Reaxys