CID 243019

6-hydroxy-5-nitropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C6H4N2O5
SMILES
C1=C(C(=O)NC=C1C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C6H4N2O5/c9-5-4(8(12)13)1-3(2-7-5)6(10)11/h1-2H,(H,7,9)(H,10,11)
InChIKey
VJMXJGVEVASJOD-UHFFFAOYSA-N
Compound name
5-nitro-6-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

195
Patents

184.01202 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01930 129.6
[M+Na]+ 207.00124 138.0
[M-H]- 183.00474 130.2
[M+NH4]+ 202.04584 145.8
[M+K]+ 222.97518 131.9
[M+H-H2O]+ 167.00928 128.3
[M+HCOO]- 229.01022 152.1
[M+CH3COO]- 243.02587 168.0
[M+Na-2H]- 204.98669 137.3
[M]+ 184.01147 126.9
[M]- 184.01257 126.9
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