CID 16773438

3-tert-butyl-1-methyl-1h-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC(C)(C)C1=NN(C2=C1C=C(C=N2)C(=O)O)C
InChI
InChI=1S/C12H15N3O2/c1-12(2,3)9-8-5-7(11(16)17)6-13-10(8)15(4)14-9/h5-6H,1-4H3,(H,16,17)
InChIKey
GQDZSSODSXPNQY-UHFFFAOYSA-N
Compound name
3-tert-butyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 153.9
[M+Na]+ 256.10564 165.2
[M-H]- 232.10914 154.6
[M+NH4]+ 251.15024 170.9
[M+K]+ 272.07958 161.9
[M+H-H2O]+ 216.11368 147.2
[M+HCOO]- 278.11462 172.1
[M+CH3COO]- 292.13027 190.4
[M+Na-2H]- 254.09109 159.0
[M]+ 233.11587 157.7
[M]- 233.11697 157.7
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.