CID 46737955

3-methyl-3h-imidazo[4,5-b]pyridine-6-carbonitrile

Structural Information

Molecular Formula
C8H6N4
SMILES
CN1C=NC2=C1N=CC(=C2)C#N
InChI
InChI=1S/C8H6N4/c1-12-5-11-7-2-6(3-9)4-10-8(7)12/h2,4-5H,1H3
InChIKey
SRIALOFVTNQJFU-UHFFFAOYSA-N
Compound name
3-methylimidazo[4,5-b]pyridine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.05925 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06653 133.6
[M+Na]+ 181.04847 147.6
[M+NH4]+ 176.09307 138.5
[M+K]+ 197.02241 139.4
[M-H]- 157.05197 127.4
[M+Na-2H]- 179.03392 138.2
[M]+ 158.05870 133.0
[M]- 158.05980 133.0
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.