CID 7174598

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

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)O
InChI
InChI=1S/C10H11N3O2/c1-5-4-7(10(14)15)8-6(2)12-13(3)9(8)11-5/h4H,1-3H3,(H,14,15)
InChIKey
RDFKCZQFWJDUEX-UHFFFAOYSA-N
Compound name
1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

205.08513 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.092406 143.1
[M+Na]+ 228.074348 155.8
[M-H]- 204.077854 144.1
[M+NH4]+ 223.118953 161.3
[M+K]+ 244.048288 152.4
[M+H-H2O]+ 188.082390 136.3
[M+HCOO]- 250.083331 163.6
[M+CH3COO]- 264.098981 185.9
[M+Na-2H]- 226.059796 147.8
[M]+ 205.08458142 147.2
[M]- 205.08567858 147.2
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