CID 7174598

1,3,6-trimethyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)O
InChI
InChI=1S/C10H11N3O2/c1-5-4-7(10(14)15)8-6(2)12-13(3)9(8)11-5/h4H,1-3H3,(H,14,15)
InChIKey
RDFKCZQFWJDUEX-UHFFFAOYSA-N
Compound name
1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

205.08513 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 143.1
[M+Na]+ 228.07435 155.8
[M-H]- 204.07785 144.1
[M+NH4]+ 223.11895 161.3
[M+K]+ 244.04829 152.4
[M+H-H2O]+ 188.08239 136.3
[M+HCOO]- 250.08333 163.6
[M+CH3COO]- 264.09898 185.9
[M+Na-2H]- 226.05980 147.8
[M]+ 205.08458 147.2
[M]- 205.08568 147.2
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