CID 48214

4-amino-2-(p-chlorophenyl)butyric acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

C1=CC(=CC=C1C(CCN)C(=O)O)Cl

InChI

InChI=1S/C10H12ClNO2/c11-8-3-1-7(2-4-8)9(5-6-12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)

InChIKey

YSUNOHPTERXNIV-UHFFFAOYSA-N

Compound name

4-amino-2-(4-chlorophenyl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 213.05565 Da
Monoisotopic Mass: -0.8
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]+	214.06293	144.5
[M+Na]+	236.04487	155.8
[M+NH4]+	231.08947	152.2
[M+K]+	252.01881	150.3
[M-H]-	212.04837	145.8
[M+Na-2H]-	234.03032	149.8
[M]+	213.05510	146.5
[M]-	213.05620	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe