CID 20259118

1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C7H5N3O2
SMILES
C1=CN=C2C(=C1C(=O)O)C=NN2
InChI
InChI=1S/C7H5N3O2/c11-7(12)4-1-2-8-6-5(4)3-9-10-6/h1-3H,(H,11,12)(H,8,9,10)
InChIKey
YYFCUONIEOBXOD-UHFFFAOYSA-N
Compound name
1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

163.03818 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04546 130.3
[M+Na]+ 186.02740 142.9
[M+NH4]+ 181.07200 137.1
[M+K]+ 202.00134 140.2
[M-H]- 162.03090 129.2
[M+Na-2H]- 184.01285 135.9
[M]+ 163.03763 131.5
[M]- 163.03873 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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