CID 23423669

3,4-diaminopyridin-2-ol

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1=CNC(=O)C(=C1N)N
InChI
InChI=1S/C5H7N3O/c6-3-1-2-8-5(9)4(3)7/h1-2H,7H2,(H3,6,8,9)
InChIKey
BHTKBUHNIZPKSG-UHFFFAOYSA-N
Compound name
3,4-diamino-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

125.058914 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 121.8
[M+Na]+ 148.048132 131.0
[M-H]- 124.051638 122.8
[M+NH4]+ 143.092737 141.3
[M+K]+ 164.022072 128.0
[M+H-H2O]+ 108.056174 115.8
[M+HCOO]- 170.057115 146.0
[M+CH3COO]- 184.072765 171.4
[M+Na-2H]- 146.033580 128.6
[M]+ 125.05836542 116.8
[M]- 125.05946258 116.8
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