CID 5365800

Vinyl crotonate

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

C/C=C/C(=O)OC=C

InChI

InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h3-5H,2H2,1H3/b5-3+

InChIKey

IYNRVIKPUTZSOR-HWKANZROSA-N

Compound name

ethenyl (E)-but-2-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 112942
Patents: 112.05243 Da
Monoisotopic Mass: 1.4
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]+	113.05971	120.4
[M+Na]+	135.04165	128.5
[M-H]-	111.04515	121.0
[M+NH4]+	130.08625	143.4
[M+K]+	151.01559	128.0
[M+H-H2O]+	95.049690	116.4
[M+HCOO]-	157.05063	144.4
[M+CH3COO]-	171.06628	167.8
[M+Na-2H]-	133.02710	126.5
[M]+	112.05188	121.8
[M]-	112.05298	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe