CID 7020763

(2r,3s)-3-phenylisoserine hydrochloride

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1=CC=C(C=C1)[C@@H]([C@H](C(=O)O)O)N
InChI
InChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1
InChIKey
RZARFIRJROUVLM-JGVFFNPUSA-N
Compound name
(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

228
Patents

181.0739 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 138.7
[M+Na]+ 204.06312 147.5
[M+NH4]+ 199.10772 145.1
[M+K]+ 220.03706 144.6
[M-H]- 180.06662 138.6
[M+Na-2H]- 202.04857 142.7
[M]+ 181.07335 139.4
[M]- 181.07445 139.4
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