CID 2232574

71455-51-1

Structural Information

Molecular Formula

C₁₁H₁₂ClNO₃

SMILES

C1=CC(=CC=C1C(=O)NCCCC(=O)O)Cl

InChI

InChI=1S/C11H12ClNO3/c12-9-5-3-8(4-6-9)11(16)13-7-1-2-10(14)15/h3-6H,1-2,7H2,(H,13,16)(H,14,15)

InChIKey

OWNIULYDSMYROG-UHFFFAOYSA-N

Compound name

4-[(4-chlorobenzoyl)amino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7
Patents: 241.05057 Da
Monoisotopic Mass: 1.7
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]+	242.05785	151.0
[M+Na]+	264.03979	161.9
[M+NH4]+	259.08439	157.7
[M+K]+	280.01373	156.4
[M-H]-	240.04329	151.6
[M+Na-2H]-	262.02524	155.9
[M]+	241.05002	152.7
[M]-	241.05112	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe