CID 228506

4-hydroxy-3-nitropyridine

Structural Information

Molecular Formula
C5H4N2O3
SMILES
C1=CNC=C(C1=O)[N+](=O)[O-]
InChI
InChI=1S/C5H4N2O3/c8-5-1-2-6-3-4(5)7(9)10/h1-3H,(H,6,8)
InChIKey
YUWOLBZMQDGRFV-UHFFFAOYSA-N
Compound name
3-nitro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

566
Patents

140.02219 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02947 120.9
[M+Na]+ 163.01141 129.6
[M-H]- 139.01491 122.7
[M+NH4]+ 158.05601 139.8
[M+K]+ 178.98535 123.8
[M+H-H2O]+ 123.01945 119.8
[M+HCOO]- 185.02039 145.7
[M+CH3COO]- 199.03604 162.5
[M+Na-2H]- 160.99686 131.2
[M]+ 140.02164 118.0
[M]- 140.02274 118.0
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