CID 412786

2-amino-4-oxo-4-phenylbutanoic acid hydrochloride

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1=CC=C(C=C1)C(=O)CC(C(=O)O)N
InChI
InChI=1S/C10H11NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,13,14)
InChIKey
QXRCVKLRAOSZCP-UHFFFAOYSA-N
Compound name
2-amino-4-oxo-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

77
Patents

193.0739 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 141.9
[M+Na]+ 216.06312 151.1
[M+NH4]+ 211.10772 148.2
[M+K]+ 232.03706 147.6
[M-H]- 192.06662 142.0
[M+Na-2H]- 214.04857 146.2
[M]+ 193.07335 142.8
[M]- 193.07445 142.8
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