CID 31205

37612-69-4

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
7
Annotation Hits

16
References

77943
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 210.0
[M+Na]+ 411.38354 209.6
[M-H]- 387.38704 211.8
[M+NH4]+ 406.42814 222.0
[M+K]+ 427.35748 198.7
[M+H-H2O]+ 371.39158 203.6
[M+HCOO]- 433.39252 228.8
[M+CH3COO]- 447.40817 227.2
[M+Na-2H]- 409.36899 212.0
[M]+ 388.39377 215.4
[M]- 388.39487 215.4
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

No patent data available for this compound.