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
3
Annotation Hits

0
References

418
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 191.5
[M+Na]+ 353.32644 191.8
[M-H]- 329.32994 188.3
[M+NH4]+ 348.37104 204.8
[M+K]+ 369.30038 183.1
[M+H-H2O]+ 313.33448 187.8
[M+HCOO]- 375.33542 207.8
[M+CH3COO]- 389.35107 209.8
[M+Na-2H]- 351.31189 192.9
[M]+ 330.33667 195.4
[M]- 330.33777 195.4
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