CID 73553511

2-hydroxy-4-nitropyridin-1-ium-1-olate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

156.0171 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.024376 123.4
[M+Na]+ 179.006318 132.9
[M-H]- 155.009824 125.5
[M+NH4]+ 174.050923 141.8
[M+K]+ 194.980258 127.5
[M+H-H2O]+ 139.014360 122.2
[M+HCOO]- 201.015301 148.3
[M+CH3COO]- 215.030951 165.7
[M+Na-2H]- 176.991766 133.2
[M]+ 156.01655142 122.2
[M]- 156.01764858 122.2
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