CID 51059957

1-methoxy-n,n,n-trimethyl-1-oxo-2-hexadecanaminium bromide

Structural Information

Molecular Formula
C20H42NO2
SMILES
CCCCCCCCCCCCCCC(C(=O)OC)[N+](C)(C)C
InChI
InChI=1S/C20H42NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20(22)23-5)21(2,3)4/h19H,6-18H2,1-5H3/q+1
InChIKey
IYOCEKKDOFNCSS-UHFFFAOYSA-N
Compound name
(1-methoxy-1-oxohexadecan-2-yl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.32156 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.32884 190.3
[M+Na]+ 351.31078 191.7
[M-H]- 327.31428 190.1
[M+NH4]+ 346.35538 210.2
[M+K]+ 367.28472 184.7
[M+H-H2O]+ 311.31882 186.3
[M+HCOO]- 373.31976 208.8
[M+CH3COO]- 387.33541 214.3
[M+Na-2H]- 349.29623 191.4
[M]+ 328.32101 196.5
[M]- 328.32211 196.5
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.