CID 15157144

3-acrylamidobenzoic acid

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

C=CC(=O)NC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C10H9NO3/c1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h2-6H,1H2,(H,11,12)(H,13,14)

InChIKey

CQGQDOGZDYSFGS-UHFFFAOYSA-N

Compound name

3-(prop-2-enoylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 191.05824 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]+	192.06552	140.7
[M+Na]+	214.04746	151.0
[M+NH4]+	209.09206	147.1
[M+K]+	230.02140	146.5
[M-H]-	190.05096	141.1
[M+Na-2H]-	212.03291	145.6
[M]+	191.05769	141.9
[M]-	191.05879	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe