CID 51059948

1-ethoxy-n,n,n-trimethyl-1-oxo-2-octadecanaminium bromide

Structural Information

Molecular Formula
C23H48NO2
SMILES
CCCCCCCCCCCCCCCCC(C(=O)OCC)[N+](C)(C)C
InChI
InChI=1S/C23H48NO2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24(3,4)5)23(25)26-7-2/h22H,6-21H2,1-5H3/q+1
InChIKey
MXEZIUBDGAAJOA-UHFFFAOYSA-N
Compound name
(1-ethoxy-1-oxooctadecan-2-yl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.3685 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.37578 200.2
[M+Na]+ 393.35772 208.0
[M+NH4]+ 388.40232 206.1
[M+K]+ 409.33166 201.2
[M-H]- 369.36122 200.5
[M+Na-2H]- 391.34317 200.7
[M]+ 370.36795 201.5
[M]- 370.36905 201.5
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

No patent data available for this compound.