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
2
Annotation Hits

0
References

13
Patents

198.12828 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.135556 146.1
[M+Na]+ 221.117498 154.5
[M-H]- 197.121004 152.0
[M+NH4]+ 216.162103 164.0
[M+K]+ 237.091438 145.1
[M+H-H2O]+ 181.125540 141.1
[M+HCOO]- 243.126481 168.8
[M+CH3COO]- 257.142131 180.6
[M+Na-2H]- 219.102946 154.9
[M]+ 198.12773142 145.3
[M]- 198.12882858 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