CID 177798910

5-methyl-1h,4h,5h,6h,7h-pyrazolo[3,4-b]pyridine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CC1CC2=C(NN=C2NC1)C(=O)O
InChI
InChI=1S/C8H11N3O2/c1-4-2-5-6(8(12)13)10-11-7(5)9-3-4/h4H,2-3H2,1H3,(H,12,13)(H2,9,10,11)
InChIKey
SJJPITJSMBDKGB-UHFFFAOYSA-N
Compound name
5-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 140.1
[M+Na]+ 204.07435 147.8
[M-H]- 180.07785 136.6
[M+NH4]+ 199.11895 156.8
[M+K]+ 220.04829 143.9
[M+H-H2O]+ 164.08239 133.4
[M+HCOO]- 226.08333 153.9
[M+CH3COO]- 240.09898 173.6
[M+Na-2H]- 202.05980 143.2
[M]+ 181.08458 134.7
[M]- 181.08568 134.7
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

No patent data available for this compound.