CID 3020020

(2-hydroxyethyl)(2-hydroxyhexadecyl)dimethylammonium chloride

Structural Information

Molecular Formula
C20H44NO2
SMILES
CCCCCCCCCCCCCCC(C[N+](C)(C)CCO)O
InChI
InChI=1S/C20H44NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19-21(2,3)17-18-22/h20,22-23H,4-19H2,1-3H3/q+1
InChIKey
SKHXKLYFBLSNDZ-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-(2-hydroxyhexadecyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

417
Patents

330.33722 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.34450 188.2
[M+Na]+ 353.32644 195.8
[M+NH4]+ 348.37104 194.3
[M+K]+ 369.30038 189.6
[M-H]- 329.32994 188.0
[M+Na-2H]- 351.31189 188.7
[M]+ 330.33667 189.3
[M]- 330.33777 189.3
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

patents stripe