CHEBI:61669 - 2-methylbutanenitrile

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ChEBI Name 2-methylbutanenitrile
ChEBI ID CHEBI:61669
Definition A nitrile formed formally by substitution of a cyano group at C-2 of butane.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C5H9N
Net Charge 0
Average Mass 83.13170
Monoisotopic Mass 83.07350
InChI InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3
InChIKey RCEJCSULJQNRQQ-UHFFFAOYSA-N
SMILES CCC(C)C#N
ChEBI Ontology
Outgoing 2-methylbutanenitrile (CHEBI:61669) is a aliphatic nitrile (CHEBI:80291)
Incoming (2S)-2-methylbutanenitrile (CHEBI:134630) is a 2-methylbutanenitrile (CHEBI:61669)
IUPAC Name
2-methylbutanenitrile
Synonyms Sources
2-Cyanobutane ChemIDplus
2-methylbutyronitrile UniProt
alpha-Methylbutyronitrile ChemIDplus
s-butyl cyanide ChEBI
sec-butyl cyanide ChEBI
Manual Xref Database
CPD-10275 MetaCyc
View more database links
Registry Numbers Types Sources
1719847 Reaxys Registry Number Reaxys
18936-17-9 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21045121 PubMed citation SUBMITTER
Last Modified
01 March 2017