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 152.4
[M+Na]+ 256.10564 164.8
[M+NH4]+ 251.15024 158.5
[M+K]+ 272.07958 162.4
[M-H]- 232.10914 151.2
[M+Na-2H]- 254.09109 156.7
[M]+ 233.11587 153.7
[M]- 233.11697 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.