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

108
Patents

184.01202 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.019296 130.3
[M+Na]+ 207.001238 138.4
[M-H]- 183.004744 130.9
[M+NH4]+ 202.045843 146.6
[M+K]+ 222.975178 133.0
[M+H-H2O]+ 167.009280 129.0
[M+HCOO]- 229.010221 152.6
[M+CH3COO]- 243.025871 169.0
[M+Na-2H]- 204.986686 138.1
[M]+ 184.01147142 128.3
[M]- 184.01256858 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