CID 65124

3-nitro-l-tyrosine

Structural Information

Molecular Formula
C9H10N2O5
SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)O)N)[N+](=O)[O-])O
InChI
InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1
InChIKey
FBTSQILOGYXGMD-LURJTMIESA-N
Compound name
(2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

5672
References

15345
Patents

226.05898 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06626 143.8
[M+Na]+ 249.04820 149.4
[M-H]- 225.05170 144.6
[M+NH4]+ 244.09280 158.9
[M+K]+ 265.02214 143.6
[M+H-H2O]+ 209.05624 142.4
[M+HCOO]- 271.05718 165.7
[M+CH3COO]- 285.07283 180.6
[M+Na-2H]- 247.03365 147.8
[M]+ 226.05843 140.0
[M]- 226.05953 140.0
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