CID 28810191

3-(4-carbamoylphenyl)acrylic acid

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

C1=CC(=CC=C1/C=C/C(=O)O)C(=O)N

InChI

InChI=1S/C10H9NO3/c11-10(14)8-4-1-7(2-5-8)3-6-9(12)13/h1-6H,(H2,11,14)(H,12,13)/b6-3+

InChIKey

CEIVMXMPBABKGI-ZZXKWVIFSA-N

Compound name

(E)-3-(4-carbamoylphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 191.05824 Da
Monoisotopic Mass: 0.7
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	140.9
[M+Na]+	214.04746	150.9
[M+NH4]+	209.09206	147.1
[M+K]+	230.02140	146.6
[M-H]-	190.05096	141.1
[M+Na-2H]-	212.03291	145.2
[M]+	191.05769	141.9
[M]-	191.05879	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe