CID 136566296

4-chloro-1,3-dimethyl-1h-pyrazolo[3,4-b]pyridin-6-ol

Structural Information

Molecular Formula
C8H8ClN3O
SMILES
CC1=NN(C2=C1C(=CC(=O)N2)Cl)C
InChI
InChI=1S/C8H8ClN3O/c1-4-7-5(9)3-6(13)10-8(7)12(2)11-4/h3H,1-2H3,(H,10,13)
InChIKey
PFXHHOLXYZEPKK-UHFFFAOYSA-N
Compound name
4-chloro-1,3-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.03558 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.04286 137.5
[M+Na]+ 220.02480 152.0
[M-H]- 196.02830 138.1
[M+NH4]+ 215.06940 156.9
[M+K]+ 235.99874 146.3
[M+H-H2O]+ 180.03284 131.2
[M+HCOO]- 242.03378 154.6
[M+CH3COO]- 256.04943 151.6
[M+Na-2H]- 218.01025 143.6
[M]+ 197.03503 141.7
[M]- 197.03613 141.7
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

No patent data available for this compound.