CID 16227363

923689-61-6

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CC(C)N1C2=NC=C(C=C2C=N1)C(=O)O
InChI
InChI=1S/C10H11N3O2/c1-6(2)13-9-7(5-12-13)3-8(4-11-9)10(14)15/h3-6H,1-2H3,(H,14,15)
InChIKey
CYJJAMFJIALZKJ-UHFFFAOYSA-N
Compound name
1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

205.08513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.092406 143.2
[M+Na]+ 228.074348 153.6
[M-H]- 204.077854 143.5
[M+NH4]+ 223.118953 160.7
[M+K]+ 244.048288 150.8
[M+H-H2O]+ 188.082390 135.8
[M+HCOO]- 250.083331 162.7
[M+CH3COO]- 264.098981 184.4
[M+Na-2H]- 226.059796 148.1
[M]+ 205.08458142 145.9
[M]- 205.08567858 145.9
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