CID 2734435

2-amino-5-nitropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C6H5N3O4
SMILES
C1=C(C=NC(=C1C(=O)O)N)[N+](=O)[O-]
InChI
InChI=1S/C6H5N3O4/c7-5-4(6(10)11)1-3(2-8-5)9(12)13/h1-2H,(H2,7,8)(H,10,11)
InChIKey
OVKURXPJUDVKKU-UHFFFAOYSA-N
Compound name
2-amino-5-nitropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

183.028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.03528 131.0
[M+Na]+ 206.01722 138.8
[M-H]- 182.02072 132.4
[M+NH4]+ 201.06182 147.5
[M+K]+ 221.99116 133.3
[M+H-H2O]+ 166.02526 129.2
[M+HCOO]- 228.02620 155.0
[M+CH3COO]- 242.04185 173.7
[M+Na-2H]- 204.00267 138.5
[M]+ 183.02745 127.7
[M]- 183.02855 127.7
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