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

105
Patents

184.01202 Da
Monoisotopic Mass

0.0
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

No literature data available for this compound.

Patent stripe

patents stripe