CID 122444

Hexadecyldimethyl(ethylbenzyl)ammonium chloride

Structural Information

Molecular Formula
C27H50N
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC(=C1)CC
InChI
InChI=1S/C27H50N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(3,4)25-27-22-20-21-26(6-2)24-27/h20-22,24H,5-19,23,25H2,1-4H3/q+1
InChIKey
WIDLCTHAESQJOI-UHFFFAOYSA-N
Compound name
(3-ethylphenyl)methyl-hexadecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

388.39432 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.40160 209.5
[M+Na]+ 411.38354 210.0
[M-H]- 387.38704 211.7
[M+NH4]+ 406.42814 221.8
[M+K]+ 427.35748 199.2
[M+H-H2O]+ 371.39158 203.4
[M+HCOO]- 433.39252 228.3
[M+CH3COO]- 447.40817 228.2
[M+Na-2H]- 409.36899 210.9
[M]+ 388.39377 215.3
[M]- 388.39487 215.3
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

No patent data available for this compound.