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]+ 371.375776 204.2
[M+Na]+ 393.357718 204.4
[M-H]- 369.361224 203.4
[M+NH4]+ 388.402323 221.4
[M+K]+ 409.331658 196.5
[M+H-H2O]+ 353.365760 199.6
[M+HCOO]- 415.366701 232.5
[M+CH3COO]- 429.382351 223.1
[M+Na-2H]- 391.343166 203.8
[M]+ 370.36795142 211.6
[M]- 370.36904858 211.6
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.