CID 51059941

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.3685 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.37578 204.2
[M+Na]+ 393.35772 204.4
[M-H]- 369.36122 203.4
[M+NH4]+ 388.40232 221.4
[M+K]+ 409.33166 196.5
[M+H-H2O]+ 353.36576 199.6
[M+HCOO]- 415.36670 232.5
[M+CH3COO]- 429.38235 223.1
[M+Na-2H]- 391.34317 203.8
[M]+ 370.36795 211.6
[M]- 370.36905 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.