CID 6581

Acrylic acid

Structural Information

Molecular Formula

C₃H₄O₂

SMILES

C=CC(=O)O

InChI

InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)

InChIKey

NIXOWILDQLNWCW-UHFFFAOYSA-N

Compound name

prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 2383
References: 1163502
Patents: 72.021126 Da
Monoisotopic Mass: 0.3
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]+	73.028402	108.7
[M+Na]+	95.010344	117.2
[M-H]-	71.013850	108.3
[M+NH4]+	90.054949	132.4
[M+K]+	110.984284	117.1
[M+H-H2O]+	55.018386	105.3
[M+HCOO]-	117.019327	131.9
[M+CH3COO]-	131.034977	158.3
[M+Na-2H]-	92.995792	115.8
[M]+	72.02057742	107.8
[M]-	72.02167458	107.8

Literature stripe

literature stripe

Patent stripe

patents stripe