CID 54676840

3-nitropyridine-2,4-diol

Structural Information

Molecular Formula
C5H4N2O4
SMILES
C1=CNC(=O)C(=C1O)[N+](=O)[O-]
InChI
InChI=1S/C5H4N2O4/c8-3-1-2-6-5(9)4(3)7(10)11/h1-2H,(H2,6,8,9)
InChIKey
BKYGVGWYPFVKTK-UHFFFAOYSA-N
Compound name
4-hydroxy-3-nitro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

455
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 123.7
[M+Na]+ 179.00632 132.7
[M-H]- 155.00982 124.4
[M+NH4]+ 174.05092 141.3
[M+K]+ 194.98026 126.4
[M+H-H2O]+ 139.01436 122.7
[M+HCOO]- 201.01530 147.1
[M+CH3COO]- 215.03095 163.0
[M+Na-2H]- 176.99177 132.9
[M]+ 156.01655 120.6
[M]- 156.01765 120.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe