CID 10157559

(ethylbenzyl)dimethyltetradecylammonium chloride

Structural Information

Molecular Formula
C25H46N
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)CC
InChI
InChI=1S/C25H46N/c1-5-7-8-9-10-11-12-13-14-15-16-17-22-26(3,4)23-25-20-18-24(6-2)19-21-25/h18-21H,5-17,22-23H2,1-4H3/q+1
InChIKey
VIQYYWHDEKRNMH-UHFFFAOYSA-N
Compound name
(4-ethylphenyl)methyl-dimethyl-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

360.36304 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.37032 200.3
[M+Na]+ 383.35226 201.8
[M-H]- 359.35576 203.0
[M+NH4]+ 378.39686 213.8
[M+K]+ 399.32620 191.4
[M+H-H2O]+ 343.36030 194.7
[M+HCOO]- 405.36124 219.9
[M+CH3COO]- 419.37689 222.3
[M+Na-2H]- 381.33771 202.8
[M]+ 360.36249 205.4
[M]- 360.36359 205.4
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

patents stripe