CID 112867

2-cyano-1-methylpyridinium iodide

Structural Information

Molecular Formula
C7H7N2
SMILES
C[N+]1=CC=CC=C1C#N
InChI
InChI=1S/C7H7N2/c1-9-5-3-2-4-7(9)6-8/h2-5H,1H3/q+1
InChIKey
QCKQICVQNDDMCF-UHFFFAOYSA-N
Compound name
1-methylpyridin-1-ium-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

225
Patents

119.06092 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06820 123.2
[M+Na]+ 142.05014 134.1
[M-H]- 118.05364 125.7
[M+NH4]+ 137.09474 142.2
[M+K]+ 158.02408 127.0
[M+H-H2O]+ 102.05818 113.3
[M+HCOO]- 164.05912 143.2
[M+CH3COO]- 178.07477 177.9
[M+Na-2H]- 140.03559 133.2
[M]+ 119.06037 117.1
[M]- 119.06147 117.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe