CID 136328572

3-amino-2h-pyrazolo[3,4-b]pyridin-6-ol

Structural Information

Molecular Formula
C6H6N4O
SMILES
C1=CC(=O)NC2=NNC(=C21)N
InChI
InChI=1S/C6H6N4O/c7-5-3-1-2-4(11)8-6(3)10-9-5/h1-2H,(H4,7,8,9,10,11)
InChIKey
UNNDGAHCJRBLOQ-UHFFFAOYSA-N
Compound name
3-amino-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.05415 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06143 126.5
[M+Na]+ 173.04337 138.1
[M-H]- 149.04687 125.3
[M+NH4]+ 168.08797 145.1
[M+K]+ 189.01731 133.3
[M+H-H2O]+ 133.05141 119.7
[M+HCOO]- 195.05235 148.0
[M+CH3COO]- 209.06800 139.9
[M+Na-2H]- 171.02882 134.9
[M]+ 150.05360 124.1
[M]- 150.05470 124.1
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

No patent data available for this compound.