CID 2762857

6-nitropyridin-3-ol

Structural Information

Molecular Formula
C5H4N2O3
SMILES
C1=CC(=NC=C1O)[N+](=O)[O-]
InChI
InChI=1S/C5H4N2O3/c8-4-1-2-5(6-3-4)7(9)10/h1-3,8H
InChIKey
LJFLBSBHQDJFQT-UHFFFAOYSA-N
Compound name
6-nitropyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

140.02219 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.029466 121.6
[M+Na]+ 163.011408 130.0
[M-H]- 139.014914 123.3
[M+NH4]+ 158.056013 140.5
[M+K]+ 178.985348 124.8
[M+H-H2O]+ 123.019450 120.4
[M+HCOO]- 185.020391 146.2
[M+CH3COO]- 199.036041 163.4
[M+Na-2H]- 160.996856 131.9
[M]+ 140.02164142 119.3
[M]- 140.02273858 119.3
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