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

53
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

No literature data available for this compound.

Patent stripe

patents stripe