CID 578841

6-nitropyridine-2-carboxylic acid

Structural Information

Molecular Formula
C6H4N2O4
SMILES
C1=CC(=NC(=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C6H4N2O4/c9-6(10)4-2-1-3-5(7-4)8(11)12/h1-3H,(H,9,10)
InChIKey
MIHFOFLNJIPDRY-UHFFFAOYSA-N
Compound name
6-nitropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

168.0171 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02438 127.9
[M+Na]+ 191.00632 135.7
[M-H]- 167.00982 129.5
[M+NH4]+ 186.05092 145.3
[M+K]+ 206.98026 130.6
[M+H-H2O]+ 151.01436 126.4
[M+HCOO]- 213.01530 151.5
[M+CH3COO]- 227.03095 168.3
[M+Na-2H]- 188.99177 136.6
[M]+ 168.01655 126.0
[M]- 168.01765 126.0
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