CID 18357439

5-hydroxy-6-nitronicotinic acid

Structural Information

Molecular Formula
C6H4N2O5
SMILES
C1=C(C=NC(=C1O)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C6H4N2O5/c9-4-1-3(6(10)11)2-7-5(4)8(12)13/h1-2,9H,(H,10,11)
InChIKey
OODZZMDHMOPHHY-UHFFFAOYSA-N
Compound name
5-hydroxy-6-nitropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

184.01202 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01930 130.3
[M+Na]+ 207.00124 138.4
[M-H]- 183.00474 130.9
[M+NH4]+ 202.04584 146.6
[M+K]+ 222.97518 133.0
[M+H-H2O]+ 167.00928 129.0
[M+HCOO]- 229.01022 152.6
[M+CH3COO]- 243.02587 169.0
[M+Na-2H]- 204.98669 138.1
[M]+ 184.01147 128.3
[M]- 184.01257 128.3
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