CID 33918

Dodecyl(ethylbenzyl)dimethylammonium chloride

Structural Information

Molecular Formula
C23H42N
SMILES
CCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)CC
InChI
InChI=1S/C23H42N/c1-5-7-8-9-10-11-12-13-14-15-20-24(3,4)21-23-18-16-22(6-2)17-19-23/h16-19H,5-15,20-21H2,1-4H3/q+1
InChIKey
KXLOQZDPPMUHLF-UHFFFAOYSA-N
Compound name
dodecyl-[(4-ethylphenyl)methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1875
Patents

332.33173 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.33901 189.6
[M+Na]+ 355.32095 202.4
[M+NH4]+ 350.36555 198.6
[M+K]+ 371.29489 192.7
[M-H]- 331.32445 194.7
[M+Na-2H]- 353.30640 196.0
[M]+ 332.33118 193.5
[M]- 332.33228 193.5
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

patents stripe