CID 14140174

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

Structural Information

Molecular Formula
C7H5N3O2
SMILES
C1=CC2=C(NN=C2N=C1)C(=O)O
InChI
InChI=1S/C7H5N3O2/c11-7(12)5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,11,12)(H,8,9,10)
InChIKey
UFKAACYLUOQSFH-UHFFFAOYSA-N
Compound name
2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

163.03818 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04546 129.7
[M+Na]+ 186.02740 140.5
[M-H]- 162.03090 128.6
[M+NH4]+ 181.07200 147.9
[M+K]+ 202.00134 137.0
[M+H-H2O]+ 146.03544 122.8
[M+HCOO]- 208.03638 149.8
[M+CH3COO]- 222.05203 142.9
[M+Na-2H]- 184.01285 137.7
[M]+ 163.03763 129.7
[M]- 163.03873 129.7
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

patents stripe