CID 39870680

1-tert-butyl-3,6-dimethyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CC1=CC(=C2C(=NN(C2=N1)C(C)(C)C)C)C(=O)O
InChI
InChI=1S/C13H17N3O2/c1-7-6-9(12(17)18)10-8(2)15-16(11(10)14-7)13(3,4)5/h6H,1-5H3,(H,17,18)
InChIKey
LNABWTAJAKLZLB-UHFFFAOYSA-N
Compound name
1-tert-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.13208 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 157.1
[M+Na]+ 270.12130 169.8
[M+NH4]+ 265.16590 163.1
[M+K]+ 286.09524 167.3
[M-H]- 246.12480 156.0
[M+Na-2H]- 268.10675 160.9
[M]+ 247.13153 158.5
[M]- 247.13263 158.5
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