CID 3016118

Dimethylaminoethyl stearate

Structural Information

Molecular Formula
C22H45NO2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCN(C)C
InChI
InChI=1S/C22H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23(2)3/h4-21H2,1-3H3
InChIKey
SXIOLYXSOHUULZ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

102
Patents

355.34503 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.35231 201.5
[M+Na]+ 378.33425 201.5
[M-H]- 354.33775 200.3
[M+NH4]+ 373.37885 215.0
[M+K]+ 394.30819 199.2
[M+H-H2O]+ 338.34229 193.3
[M+HCOO]- 400.34323 221.2
[M+CH3COO]- 414.35888 226.6
[M+Na-2H]- 376.31970 198.2
[M]+ 355.34448 210.8
[M]- 355.34558 210.8
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