CID 13541156

1-benzyl-3,4-dimethylpyridinium chloride

Structural Information

Molecular Formula
C14H16N
SMILES
CC1=C(C=[N+](C=C1)CC2=CC=CC=C2)C
InChI
InChI=1S/C14H16N/c1-12-8-9-15(10-13(12)2)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3/q+1
InChIKey
GVLMBSLAGCKIHS-UHFFFAOYSA-N
Compound name
1-benzyl-3,4-dimethylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

198.12828 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13556 146.1
[M+Na]+ 221.11750 154.5
[M-H]- 197.12100 152.0
[M+NH4]+ 216.16210 164.0
[M+K]+ 237.09144 145.1
[M+H-H2O]+ 181.12554 141.1
[M+HCOO]- 243.12648 168.8
[M+CH3COO]- 257.14213 180.6
[M+Na-2H]- 219.10295 154.9
[M]+ 198.12773 145.3
[M]- 198.12883 145.3
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