CID 27049

4-(4-aminophenyl)butyric acid

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1=CC(=CC=C1CCCC(=O)O)N

InChI

InChI=1S/C10H13NO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3,11H2,(H,12,13)

InChIKey

RBHLFWNKEWLHBP-UHFFFAOYSA-N

Compound name

4-(4-aminophenyl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1355
Patents: 179.09464 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]+	180.10192	139.1
[M+Na]+	202.08386	149.8
[M+NH4]+	197.12846	146.6
[M+K]+	218.05780	144.4
[M-H]-	178.08736	140.5
[M+Na-2H]-	200.06931	144.5
[M]+	179.09409	140.7
[M]-	179.09519	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe