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[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

217.08513 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 154.0
[M+Na]+ 240.07435 167.0
[M-H]- 216.07785 158.1
[M+NH4]+ 235.11895 166.3
[M+K]+ 256.04829 161.1
[M+H-H2O]+ 200.08239 146.3
[M+HCOO]- 262.08333 174.3
[M+CH3COO]- 276.09898 166.3
[M+Na-2H]- 238.05980 158.2
[M]+ 217.08458 158.7
[M]- 217.08568 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