CID 5122079

2-hydroxy-5-nitronicotinic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

184.01202 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.019296 129.6
[M+Na]+ 207.001238 138.0
[M-H]- 183.004744 130.2
[M+NH4]+ 202.045843 145.8
[M+K]+ 222.975178 131.9
[M+H-H2O]+ 167.009280 128.3
[M+HCOO]- 229.010221 152.1
[M+CH3COO]- 243.025871 168.0
[M+Na-2H]- 204.986686 137.3
[M]+ 184.01147142 126.9
[M]- 184.01256858 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

No literature data available for this compound.

Patent stripe

patents stripe