CID 115019237

4-chloro-1-methyl-1h-pyrazolo[3,4-b]pyridine-5-carbonitrile

Structural Information

Molecular Formula
C8H5ClN4
SMILES
CN1C2=NC=C(C(=C2C=N1)Cl)C#N
InChI
InChI=1S/C8H5ClN4/c1-13-8-6(4-12-13)7(9)5(2-10)3-11-8/h3-4H,1H3
InChIKey
NQLVPXDNXMBFFF-UHFFFAOYSA-N
Compound name
4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.02028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.027556 136.3
[M+Na]+ 215.009498 151.0
[M-H]- 191.013004 136.4
[M+NH4]+ 210.054103 153.7
[M+K]+ 230.983438 145.1
[M+H-H2O]+ 175.017540 122.0
[M+HCOO]- 237.018481 150.9
[M+CH3COO]- 251.034131 148.7
[M+Na-2H]- 212.994946 142.8
[M]+ 192.01973142 135.2
[M]- 192.02082858 135.2
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.