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
1
Annotation Hits

0
References

575
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 200.2
[M+Na]+ 393.35772 208.4
[M+NH4]+ 388.40232 206.3
[M+K]+ 409.33166 200.8
[M-H]- 369.36122 200.8
[M+Na-2H]- 391.34317 201.1
[M]+ 370.36795 201.7
[M]- 370.36905 201.7
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

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