CID 131298296

2091473-85-5

Structural Information

Molecular Formula
C9H8ClN3O2
SMILES
CN1C2=NC(=C(C=C2C=N1)C(=O)OC)Cl
InChI
InChI=1S/C9H8ClN3O2/c1-13-8-5(4-11-13)3-6(7(10)12-8)9(14)15-2/h3-4H,1-2H3
InChIKey
KFZQHTVRVQOEIO-UHFFFAOYSA-N
Compound name
methyl 6-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0305 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03778 143.7
[M+Na]+ 248.01972 158.5
[M+NH4]+ 243.06432 151.2
[M+K]+ 263.99366 154.3
[M-H]- 224.02322 143.7
[M+Na-2H]- 246.00517 149.6
[M]+ 225.02995 146.0
[M]- 225.03105 146.0
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.