CID 51059966

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

Structural Information

Molecular Formula
C18H38NO2
SMILES
CCCCCCCCCCCCC(C(=O)OC)[N+](C)(C)C
InChI
InChI=1S/C18H38NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17(18(20)21-5)19(2,3)4/h17H,6-16H2,1-5H3/q+1
InChIKey
HGKGBWDZLVDDMQ-UHFFFAOYSA-N
Compound name
(1-methoxy-1-oxotetradecan-2-yl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.29025 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.29753 178.3
[M+Na]+ 323.27947 187.2
[M+NH4]+ 318.32407 185.1
[M+K]+ 339.25341 181.6
[M-H]- 299.28297 178.9
[M+Na-2H]- 321.26492 180.1
[M]+ 300.28970 179.9
[M]- 300.29080 179.9
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.