CID 51059946

N,n,n-trimethyl-1-(octyloxy)-1-oxo-2-decanaminium bromide

Structural Information

Molecular Formula
C21H44NO2
SMILES
CCCCCCCCC(C(=O)OCCCCCCCC)[N+](C)(C)C
InChI
InChI=1S/C21H44NO2/c1-6-8-10-12-14-16-18-20(22(3,4)5)21(23)24-19-17-15-13-11-9-7-2/h20H,6-19H2,1-5H3/q+1
InChIKey
XQTNJGNVFZQJGS-UHFFFAOYSA-N
Compound name
trimethyl-(1-octoxy-1-oxodecan-2-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.33722 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.34450 191.4
[M+Na]+ 365.32644 199.7
[M+NH4]+ 360.37104 197.7
[M+K]+ 381.30038 193.4
[M-H]- 341.32994 191.9
[M+Na-2H]- 363.31189 192.5
[M]+ 342.33667 192.9
[M]- 342.33777 192.9
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.