CID 86678157

1426918-16-2

Structural Information

Molecular Formula
C9H8ClN3O2
SMILES
CCOC(=O)C1=CC(=NC2=C1C=NN2)Cl
InChI
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)5-3-7(10)12-8-6(5)4-11-13-8/h3-4H,2H2,1H3,(H,11,12,13)
InChIKey
BHOSGXRYZJHZJD-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

225.0305 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03778 144.1
[M+Na]+ 248.01972 156.0
[M-H]- 224.02322 144.1
[M+NH4]+ 243.06432 161.7
[M+K]+ 263.99366 151.2
[M+H-H2O]+ 208.02776 137.0
[M+HCOO]- 270.02870 160.2
[M+CH3COO]- 284.04435 183.6
[M+Na-2H]- 246.00517 150.2
[M]+ 225.02995 148.7
[M]- 225.03105 148.7
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