CID 2736267

439109-76-9

Structural Information

Molecular Formula
C10H11N3O3
SMILES
CC1=NN(C2=NC=C(C(=C12)OC)C(=O)O)C
InChI
InChI=1S/C10H11N3O3/c1-5-7-8(16-3)6(10(14)15)4-11-9(7)13(2)12-5/h4H,1-3H3,(H,14,15)
InChIKey
FGSLAFUKFLYMRQ-UHFFFAOYSA-N
Compound name
4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

221.08005 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.087326 145.9
[M+Na]+ 244.069268 158.3
[M-H]- 220.072774 146.9
[M+NH4]+ 239.113873 163.3
[M+K]+ 260.043208 155.6
[M+H-H2O]+ 204.077310 138.9
[M+HCOO]- 266.078251 166.6
[M+CH3COO]- 280.093901 188.1
[M+Na-2H]- 242.054716 150.6
[M]+ 221.07950142 151.4
[M]- 221.08059858 151.4
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