CID 3055394

Serine, p-nitrophenyl-

Structural Information

Molecular Formula
C9H10N2O5
SMILES
C1=CC(=CC=C1N[C@@H](CO)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O5/c12-5-8(9(13)14)10-6-1-3-7(4-2-6)11(15)16/h1-4,8,10,12H,5H2,(H,13,14)/t8-/m0/s1
InChIKey
WLZQSOUQRZKSBM-QMMMGPOBSA-N
Compound name
(2S)-3-hydroxy-2-(4-nitroanilino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

226.05898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.066256 143.6
[M+Na]+ 249.048198 148.3
[M-H]- 225.051704 144.5
[M+NH4]+ 244.092803 158.7
[M+K]+ 265.022138 142.8
[M+H-H2O]+ 209.056240 141.9
[M+HCOO]- 271.057181 166.2
[M+CH3COO]- 285.072831 180.0
[M+Na-2H]- 247.033646 149.3
[M]+ 226.05843142 140.4
[M]- 226.05952858 140.4
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