CID 19616512

1,6-dimethyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CC1=CC(=C2C=NN(C2=N1)C)C(=O)O
InChI
InChI=1S/C9H9N3O2/c1-5-3-6(9(13)14)7-4-10-12(2)8(7)11-5/h3-4H,1-2H3,(H,13,14)
InChIKey
WWHVRJTUXJGXCO-UHFFFAOYSA-N
Compound name
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

191.06947 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 138.5
[M+Na]+ 214.058688 150.7
[M-H]- 190.062194 139.2
[M+NH4]+ 209.103293 157.0
[M+K]+ 230.032628 147.5
[M+H-H2O]+ 174.066730 131.6
[M+HCOO]- 236.067671 159.4
[M+CH3COO]- 250.083321 181.7
[M+Na-2H]- 212.044136 144.4
[M]+ 191.06892142 141.9
[M]- 191.07001858 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