CID 75118

Vinyl acrylate

Structural Information

Molecular Formula

C₅H₆O₂

SMILES

C=CC(=O)OC=C

InChI

InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h3-4H,1-2H2

InChIKey

BLCTWBJQROOONQ-UHFFFAOYSA-N

Compound name

ethenyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 26763
Patents: 98.03678 Da
Monoisotopic Mass: 1.2
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]+	99.044056	115.5
[M+Na]+	121.025998	123.9
[M-H]-	97.029504	116.3
[M+NH4]+	116.070603	138.9
[M+K]+	136.999938	123.7
[M+H-H2O]+	81.034040	111.6
[M+HCOO]-	143.034981	139.8
[M+CH3COO]-	157.050631	165.5
[M+Na-2H]-	119.011446	122.2
[M]+	98.03623142	116.6
[M]-	98.03732858	116.6

Literature stripe

literature stripe

Patent stripe

patents stripe