CID 11997564

2-amino-4-hydroxy-4-phenylbutanoic acid hydrochloride

Structural Information

Molecular Formula
C10H13NO3
SMILES
C1=CC=C(C=C1)C(CC(C(=O)O)N)O
InChI
InChI=1S/C10H13NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)
InChIKey
WQLIGWIJZBHBFM-UHFFFAOYSA-N
Compound name
2-amino-4-hydroxy-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

195.08954 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 143.4
[M+Na]+ 218.07876 148.0
[M-H]- 194.08226 143.5
[M+NH4]+ 213.12336 160.3
[M+K]+ 234.05270 146.1
[M+H-H2O]+ 178.08680 137.4
[M+HCOO]- 240.08774 162.8
[M+CH3COO]- 254.10339 181.5
[M+Na-2H]- 216.06421 145.4
[M]+ 195.08899 139.8
[M]- 195.09009 139.8
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