CID 28810187

3-(4-carbamoylphenyl)propanoic acid

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

C1=CC(=CC=C1CCC(=O)O)C(=O)N

InChI

InChI=1S/C10H11NO3/c11-10(14)8-4-1-7(2-5-8)3-6-9(12)13/h1-2,4-5H,3,6H2,(H2,11,14)(H,12,13)

InChIKey

AMGMGROSBGZBCX-UHFFFAOYSA-N

Compound name

3-(4-carbamoylphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 193.0739 Da
Monoisotopic Mass: 0.4
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]+	194.08118	141.5
[M+Na]+	216.06312	151.4
[M+NH4]+	211.10772	148.0
[M+K]+	232.03706	147.3
[M-H]-	192.06662	141.9
[M+Na-2H]-	214.04857	146.0
[M]+	193.07335	142.6
[M]-	193.07445	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe