CID 45588472

3-amino-1h-pyrazolo[3,4-b]pyridin-7-ium-7-olate

Structural Information

Molecular Formula
C6H6N4O
SMILES
C1=CN(C2=NN=C(C2=C1)N)O
InChI
InChI=1S/C6H6N4O/c7-5-4-2-1-3-10(11)6(4)9-8-5/h1-3,11H,(H2,7,8)
InChIKey
YFZRHDAYVYMPPF-UHFFFAOYSA-N
Compound name
7-hydroxypyrazolo[3,4-b]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.05415 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06143 127.3
[M+Na]+ 173.04337 139.2
[M+NH4]+ 168.08797 134.8
[M+K]+ 189.01731 136.4
[M-H]- 149.04687 127.5
[M+Na-2H]- 171.02882 132.7
[M]+ 150.05360 128.7
[M]- 150.05470 128.7
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.