CID 136573

759-58-0

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CCOC(=O)C(=C(C)C)C#N

InChI

InChI=1S/C8H11NO2/c1-4-11-8(10)7(5-9)6(2)3/h4H2,1-3H3

InChIKey

PZMDAADKKAXROL-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-3-methylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 170
Patents: 153.07898 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	154.08626	133.7
[M+Na]+	176.06820	142.6
[M+NH4]+	171.11280	137.1
[M+K]+	192.04214	135.7
[M-H]-	152.07170	125.1
[M+Na-2H]-	174.05365	133.9
[M]+	153.07843	131.4
[M]-	153.07953	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe