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

78852
Patents

388.39432 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.401596 210.0
[M+Na]+ 411.383538 209.6
[M-H]- 387.387044 211.8
[M+NH4]+ 406.428143 222.0
[M+K]+ 427.357478 198.7
[M+H-H2O]+ 371.391580 203.6
[M+HCOO]- 433.392521 228.8
[M+CH3COO]- 447.408171 227.2
[M+Na-2H]- 409.368986 212.0
[M]+ 388.39377142 215.4
[M]- 388.39486858 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

literature stripe

Patent stripe

patents stripe