CID 14775563

4-amino-3-nitropyridin-2-ol

Structural Information

Molecular Formula
C5H5N3O3
SMILES
C1=CNC(=O)C(=C1N)[N+](=O)[O-]
InChI
InChI=1S/C5H5N3O3/c6-3-1-2-7-5(9)4(3)8(10)11/h1-2H,(H3,6,7,9)
InChIKey
RGLDNSAKBSIEHN-UHFFFAOYSA-N
Compound name
4-amino-3-nitro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

155.0331 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04038 124.1
[M+Na]+ 178.02232 132.8
[M-H]- 154.02582 125.6
[M+NH4]+ 173.06692 142.0
[M+K]+ 193.99626 126.4
[M+H-H2O]+ 138.03036 122.7
[M+HCOO]- 200.03130 149.2
[M+CH3COO]- 214.04695 167.7
[M+Na-2H]- 176.00777 133.1
[M]+ 155.03255 119.7
[M]- 155.03365 119.7
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