CID 37118

4-(benzoylamino)butanoic acid

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

C1=CC=C(C=C1)C(=O)NCCCC(=O)O

InChI

InChI=1S/C11H13NO3/c13-10(14)7-4-8-12-11(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,14)

InChIKey

BOZHPKGNNJPZKV-UHFFFAOYSA-N

Compound name

4-benzamidobutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 64
Patents: 207.08954 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]+	208.09682	145.6
[M+Na]+	230.07876	150.8
[M-H]-	206.08226	147.5
[M+NH4]+	225.12336	163.1
[M+K]+	246.05270	148.8
[M+H-H2O]+	190.08680	139.2
[M+HCOO]-	252.08774	168.1
[M+CH3COO]-	266.10339	185.0
[M+Na-2H]-	228.06421	150.0
[M]+	207.08899	145.1
[M]-	207.09009	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe