CID 90111

Surfactive v 18

Structural Information

Molecular Formula
C23H48NO2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C23H48NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)26-22-21-24(2,3)4/h5-22H2,1-4H3/q+1
InChIKey
SGFBLYBOTWZDDE-UHFFFAOYSA-N
Compound name
trimethyl(2-octadecanoyloxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

582
Patents

370.3685 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.37578 204.1
[M+Na]+ 393.35772 204.5
[M-H]- 369.36122 203.2
[M+NH4]+ 388.40232 221.0
[M+K]+ 409.33166 196.2
[M+H-H2O]+ 353.36576 199.4
[M+HCOO]- 415.36670 236.0
[M+CH3COO]- 429.38235 222.5
[M+Na-2H]- 391.34317 204.9
[M]+ 370.36795 212.2
[M]- 370.36905 212.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe