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

142
Patents

140.02219 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02947 121.6
[M+Na]+ 163.01141 130.0
[M-H]- 139.01491 123.3
[M+NH4]+ 158.05601 140.5
[M+K]+ 178.98535 124.8
[M+H-H2O]+ 123.01945 120.4
[M+HCOO]- 185.02039 146.2
[M+CH3COO]- 199.03604 163.4
[M+Na-2H]- 160.99686 131.9
[M]+ 140.02164 119.3
[M]- 140.02274 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