CID 15089658

Schembl6574072

Structural Information

Molecular Formula
C27H50N
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1CC
InChI
InChI=1S/C27H50N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-24-28(3,4)25-27-23-20-19-22-26(27)6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1
InChIKey
DLESVIKNWRNDKI-UHFFFAOYSA-N
Compound name
(2-ethylphenyl)methyl-hexadecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

388.39432 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.401596 209.5
[M+Na]+ 411.383538 210.0
[M-H]- 387.387044 211.7
[M+NH4]+ 406.428143 221.8
[M+K]+ 427.357478 199.2
[M+H-H2O]+ 371.391580 203.4
[M+HCOO]- 433.392521 228.3
[M+CH3COO]- 447.408171 228.2
[M+Na-2H]- 409.368986 210.9
[M]+ 388.39377142 215.3
[M]- 388.39486858 215.3
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.