CHEBI:229308 - Methylacrylonitrile

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Methylacrylonitrile
ChEBI ID CHEBI:229308
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C4H5N
Net Charge 0
Average Mass 67.091
Monoisotopic Mass 67.04220
InChI InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3
InChIKey GYCMBHHDWRMZGG-UHFFFAOYSA-N
SMILES N#CC(C)=C
Metabolite of Species Details
Oryctolagus cuniculus (NCBI:txid9986) Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study
ChEBI Ontology
Outgoing Methylacrylonitrile (CHEBI:229308) is a nitrile (CHEBI:18379)
IUPAC Name
2-methylprop-2-enenitrile
Manual Xrefs Databases
29101 ChemSpider
HMDB0254515 HMDB
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Registry Number Type Source
126-98-7 CAS Registry Number ChemIDplus