CHEBI:15348 - 2-hydroxy-2-methylpropanenitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-hydroxy-2-methylpropanenitrile
ChEBI ID CHEBI:15348
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41622, CHEBI:11597, CHEBI:13709, CHEBI:2399, CHEBI:11581, CHEBI:22184
Supplier Information
Download Molfile XML SDF
Formula C4H7NO
Net Charge 0
Average Mass 85.10452
Monoisotopic Mass 85.053
InChI InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
InChIKey MWFMGBPGAXYFAR-UHFFFAOYSA-N
SMILES CC(C)(O)C#N
ChEBI Ontology
Outgoing 2-hydroxy-2-methylpropanenitrile (CHEBI:15348) is a cyanohydrin (CHEBI:23437)
Incoming linamarin (CHEBI:16441) has functional parent 2-hydroxy-2-methylpropanenitrile (CHEBI:15348)
IUPAC Name
2-hydroxy-2-methylpropanenitrile
Synonyms Sources
2-Hydroxy-2-methylpropanenitrile KEGG COMPOUND
2-hydroxy-2-methylpropanenitrile UniProt
2-Hydroxyisobutyronitrile KEGG COMPOUND
2-Methyllactonitrile KEGG COMPOUND
Acetone cyanhydrin KEGG COMPOUND
Acetone cyanohydrin KEGG COMPOUND
acetone-cyanohydrin ChEBI
alpha-Hydroxyisobutyronitrile KEGG COMPOUND
Database Links Databases
C02659 KEGG COMPOUND
DB02203 DrugBank
View more database links
Registry Number Type Source
75-86-5 CAS Registry Number KEGG COMPOUND
Last Modified
26 August 2016