CID 16227864

1,3-dimethyl-1h-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CC1=NN(C2=C1C=C(C=N2)C(=O)O)C
InChI
InChI=1S/C9H9N3O2/c1-5-7-3-6(9(13)14)4-10-8(7)12(2)11-5/h3-4H,1-2H3,(H,13,14)
InChIKey
NMGFHFUUCGHRIZ-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

191.06947 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 138.5
[M+Na]+ 214.05869 150.7
[M-H]- 190.06219 139.2
[M+NH4]+ 209.10329 157.0
[M+K]+ 230.03263 147.5
[M+H-H2O]+ 174.06673 131.6
[M+HCOO]- 236.06767 159.4
[M+CH3COO]- 250.08332 181.7
[M+Na-2H]- 212.04414 144.4
[M]+ 191.06892 141.9
[M]- 191.07002 141.9
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