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

241
Patents

163.03818 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.045456 129.7
[M+Na]+ 186.027398 140.5
[M-H]- 162.030904 128.6
[M+NH4]+ 181.072003 147.9
[M+K]+ 202.001338 137.0
[M+H-H2O]+ 146.035440 122.8
[M+HCOO]- 208.036381 149.8
[M+CH3COO]- 222.052031 142.9
[M+Na-2H]- 184.012846 137.7
[M]+ 163.03763142 129.7
[M]- 163.03872858 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