CID 13761409

4-(phenylamino)butanoic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

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

InChI

InChI=1S/C10H13NO2/c12-10(13)7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2,(H,12,13)

InChIKey

WHXFWSFZCBNZLK-UHFFFAOYSA-N

Compound name

4-anilinobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 179.09464 Da
Monoisotopic Mass: 1.4
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]+	180.10192	138.6
[M+Na]+	202.08386	144.2
[M-H]-	178.08736	140.5
[M+NH4]+	197.12846	157.4
[M+K]+	218.05780	142.0
[M+H-H2O]+	162.09190	132.4
[M+HCOO]-	224.09284	162.0
[M+CH3COO]-	238.10849	180.6
[M+Na-2H]-	200.06931	144.8
[M]+	179.09409	137.7
[M]-	179.09519	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe