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

15
Patents

213.05565 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 144.9
[M+Na]+ 236.04487 152.1
[M-H]- 212.04837 146.7
[M+NH4]+ 231.08947 163.2
[M+K]+ 252.01881 148.0
[M+H-H2O]+ 196.05291 140.1
[M+HCOO]- 258.05385 162.2
[M+CH3COO]- 272.06950 185.8
[M+Na-2H]- 234.03032 147.7
[M]+ 213.05510 144.9
[M]- 213.05620 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe