CID 46835638

4-chloro-1-methyl-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C7H6ClN3
SMILES
CN1C2=NC=CC(=C2C=N1)Cl
InChI
InChI=1S/C7H6ClN3/c1-11-7-5(4-10-11)6(8)2-3-9-7/h2-4H,1H3
InChIKey
XYCQHBVGJNXHGP-UHFFFAOYSA-N
Compound name
4-chloro-1-methylpyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

167.02502 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03230 129.4
[M+Na]+ 190.01424 142.8
[M-H]- 166.01774 130.7
[M+NH4]+ 185.05884 150.2
[M+K]+ 205.98818 138.4
[M+H-H2O]+ 150.02228 122.4
[M+HCOO]- 212.02322 148.0
[M+CH3COO]- 226.03887 144.1
[M+Na-2H]- 187.99969 138.1
[M]+ 167.02447 133.6
[M]- 167.02557 133.6
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