CID 2762849

2-nitro-4-pyridinol

Structural Information

Molecular Formula
C5H4N2O3
SMILES
C1=CNC(=CC1=O)[N+](=O)[O-]
InChI
InChI=1S/C5H4N2O3/c8-4-1-2-6-5(3-4)7(9)10/h1-3H,(H,6,8)
InChIKey
NJTUZNXKDOUPHP-UHFFFAOYSA-N
Compound name
2-nitro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

140.02219 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.029466 120.9
[M+Na]+ 163.011408 129.6
[M-H]- 139.014914 122.7
[M+NH4]+ 158.056013 139.8
[M+K]+ 178.985348 123.8
[M+H-H2O]+ 123.019450 119.8
[M+HCOO]- 185.020391 145.7
[M+CH3COO]- 199.036041 162.5
[M+Na-2H]- 160.996856 131.2
[M]+ 140.02164142 118.0
[M]- 140.02273858 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

No literature data available for this compound.

Patent stripe

patents stripe