CID 31205

122-19-0

Structural Information

Molecular Formula
C27H50N
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C27H50N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27/h19-21,23-24H,4-18,22,25-26H2,1-3H3/q+1
InChIKey
FWLORMQUOWCQPO-UHFFFAOYSA-N
Compound name
benzyl-dimethyl-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

16
References

80020
Patents

388.39432 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.40160 208.0
[M+Na]+ 411.38354 219.6
[M+NH4]+ 406.42814 216.3
[M+K]+ 427.35748 208.7
[M-H]- 387.38704 212.8
[M+Na-2H]- 409.36899 213.4
[M]+ 388.39377 211.5
[M]- 388.39487 211.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe