CID 3023994

3,5-diaminopyridin-4-ol

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1=C(C(=O)C(=CN1)N)N
InChI
InChI=1S/C5H7N3O/c6-3-1-8-2-4(7)5(3)9/h1-2H,6-7H2,(H,8,9)
InChIKey
WFLQGXOIDGIFBA-UHFFFAOYSA-N
Compound name
3,5-diamino-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

125.058914 Da
Monoisotopic Mass

-0.8
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

No literature data available for this compound.

Patent stripe

patents stripe