CID 83821033

1545134-94-8

Structural Information

Molecular Formula
C8H6ClN3O2
SMILES
CC1=C2C(=CC(=NC2=NN1)Cl)C(=O)O
InChI
InChI=1S/C8H6ClN3O2/c1-3-6-4(8(13)14)2-5(9)10-7(6)12-11-3/h2H,1H3,(H,13,14)(H,10,11,12)
InChIKey
BUMUPYRLXQJSDX-UHFFFAOYSA-N
Compound name
6-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.01485 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.02213 140.2
[M+Na]+ 234.00407 154.1
[M+NH4]+ 229.04867 147.1
[M+K]+ 249.97801 150.7
[M-H]- 210.00757 139.2
[M+Na-2H]- 231.98952 145.0
[M]+ 211.01430 141.9
[M]- 211.01540 141.9
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

No patent data available for this compound.