CID 5238425

2-amino-3-hydroxy-3-(4-nitrophenyl)propanoic acid

Structural Information

Molecular Formula
C9H10N2O5
SMILES
C1=CC(=CC=C1C(C(C(=O)O)N)O)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O5/c10-7(9(13)14)8(12)5-1-3-6(4-2-5)11(15)16/h1-4,7-8,12H,10H2,(H,13,14)
InChIKey
MDMLHLZJIBYSKV-UHFFFAOYSA-N
Compound name
2-amino-3-hydroxy-3-(4-nitrophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

226.05898 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06626 144.7
[M+Na]+ 249.04820 153.5
[M+NH4]+ 244.09280 149.9
[M+K]+ 265.02214 154.4
[M-H]- 225.05170 145.1
[M+Na-2H]- 247.03365 147.5
[M]+ 226.05843 145.4
[M]- 226.05953 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe