CID 98232107

(dodecylbenzyl)trimethylammonium chloride

Structural Information

Molecular Formula
C22H40N
SMILES
CCCCCCCCCCCCC1=CC(=CC=C1)C[N+](C)(C)C
InChI
InChI=1S/C22H40N/c1-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19-21)20-23(2,3)4/h15,17-19H,5-14,16,20H2,1-4H3/q+1
InChIKey
YYRJIJQBMINWEN-UHFFFAOYSA-N
Compound name
(3-dodecylphenyl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.31607 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.32335 186.4
[M+Na]+ 341.30529 189.2
[M-H]- 317.30879 189.7
[M+NH4]+ 336.34989 201.7
[M+K]+ 357.27923 179.6
[M+H-H2O]+ 301.31333 181.4
[M+HCOO]- 363.31427 207.1
[M+CH3COO]- 377.32992 213.3
[M+Na-2H]- 339.29074 190.6
[M]+ 318.31552 190.5
[M]- 318.31662 190.5
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.