CID 16205848

93893-67-5

Structural Information

Molecular Formula
C15H17ClN
SMILES
CCC1=C[N+](=C(C=C1)C)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H17ClN/c1-3-13-5-4-12(2)17(10-13)11-14-6-8-15(16)9-7-14/h4-10H,3,11H2,1-2H3/q+1
InChIKey
LAEJYNBSEFGKOS-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-5-ethyl-2-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10495 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.112226 156.8
[M+Na]+ 269.094168 166.3
[M-H]- 245.097674 162.4
[M+NH4]+ 264.138773 173.9
[M+K]+ 285.068108 155.0
[M+H-H2O]+ 229.102210 152.3
[M+HCOO]- 291.103151 174.5
[M+CH3COO]- 305.118801 188.4
[M+Na-2H]- 267.079616 163.8
[M]+ 246.10440142 158.8
[M]- 246.10549858 158.8
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.