CID 75863

1-benzyl-2-methylpyridinium bromide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

931
Patents

184.11263 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11991 138.7
[M+Na]+ 207.10185 157.2
[M+NH4]+ 202.14645 150.0
[M+K]+ 223.07579 148.7
[M-H]- 183.10535 145.9
[M+Na-2H]- 205.08730 151.3
[M]+ 184.11208 144.1
[M]- 184.11318 144.1
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