CID 237782

4-hydroxy-3-nitropyridine n-oxide

Structural Information

Molecular Formula
C5H4N2O4
SMILES
C1=CN(C=C(C1=O)[N+](=O)[O-])O
InChI
InChI=1S/C5H4N2O4/c8-5-1-2-6(9)3-4(5)7(10)11/h1-3,9H
InChIKey
QDIJYPHBWUDRIA-UHFFFAOYSA-N
Compound name
1-hydroxy-3-nitropyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.0171 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.02438 124.6
[M+Na]+ 179.00632 138.0
[M+NH4]+ 174.05092 131.6
[M+K]+ 194.98026 136.3
[M-H]- 155.00982 126.0
[M+Na-2H]- 176.99177 130.6
[M]+ 156.01655 126.5
[M]- 156.01765 126.5
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

No patent data available for this compound.