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[5,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 153.9
[M+Na]+ 256.105638 165.2
[M-H]- 232.109144 154.6
[M+NH4]+ 251.150243 170.9
[M+K]+ 272.079578 161.9
[M+H-H2O]+ 216.113680 147.2
[M+HCOO]- 278.114621 172.1
[M+CH3COO]- 292.130271 190.4
[M+Na-2H]- 254.091086 159.0
[M]+ 233.11587142 157.7
[M]- 233.11696858 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

patents stripe