CID 85334

Benzyl-3-methylpyridinium chloride

Structural Information

Molecular Formula
C13H14N
SMILES
CC1=C[N+](=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H14N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3/q+1
InChIKey
KPLXPAJPJHQENL-UHFFFAOYSA-N
Compound name
1-benzyl-3-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

48
Patents

184.11263 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11991 141.8
[M+Na]+ 207.10185 149.7
[M-H]- 183.10535 147.5
[M+NH4]+ 202.14645 160.0
[M+K]+ 223.07579 140.6
[M+H-H2O]+ 167.10989 136.8
[M+HCOO]- 229.11083 164.9
[M+CH3COO]- 243.12648 176.5
[M+Na-2H]- 205.08730 151.9
[M]+ 184.11208 140.3
[M]- 184.11318 140.3
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