CID 19616513

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

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CN1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)O
InChI
InChI=1S/C11H11N3O2/c1-14-10-8(5-12-14)7(11(15)16)4-9(13-10)6-2-3-6/h4-6H,2-3H2,1H3,(H,15,16)
InChIKey
GRXOHEXNROQVRY-UHFFFAOYSA-N
Compound name
6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

217.08513 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.092406 154.0
[M+Na]+ 240.074348 167.0
[M-H]- 216.077854 158.1
[M+NH4]+ 235.118953 166.3
[M+K]+ 256.048288 161.1
[M+H-H2O]+ 200.082390 146.3
[M+HCOO]- 262.083331 174.3
[M+CH3COO]- 276.098981 166.3
[M+Na-2H]- 238.059796 158.2
[M]+ 217.08458142 158.7
[M]- 217.08567858 158.7
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