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]+ 151.061426 127.5
[M+Na]+ 173.043368 138.3
[M-H]- 149.046874 127.2
[M+NH4]+ 168.087973 146.7
[M+K]+ 189.017308 135.2
[M+H-H2O]+ 133.051410 120.3
[M+HCOO]- 195.052351 149.0
[M+CH3COO]- 209.068001 141.0
[M+Na-2H]- 171.028816 135.4
[M]+ 150.05360142 126.2
[M]- 150.05469858 126.2
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.