CID 16205850

1-benzyl-5-ethyl-2-methylpyridinium chloride

Structural Information

Molecular Formula
C15H18N
SMILES
CCC1=C[N+](=C(C=C1)C)CC2=CC=CC=C2
InChI
InChI=1S/C15H18N/c1-3-14-10-9-13(2)16(11-14)12-15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3/q+1
InChIKey
WQTKFEKJWRWKQC-UHFFFAOYSA-N
Compound name
1-benzyl-5-ethyl-2-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.14392 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.151196 150.8
[M+Na]+ 235.133138 158.9
[M-H]- 211.136644 156.6
[M+NH4]+ 230.177743 168.2
[M+K]+ 251.107078 149.2
[M+H-H2O]+ 195.141180 145.7
[M+HCOO]- 257.142121 173.3
[M+CH3COO]- 271.157771 183.6
[M+Na-2H]- 233.118586 159.1
[M]+ 212.14337142 150.4
[M]- 212.14446858 150.4
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

No patent data available for this compound.