CID 175013

2-ethoxyethyl stearate

Structural Information

Molecular Formula
C22H44O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCC
InChI
InChI=1S/C22H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)25-21-20-24-4-2/h3-21H2,1-2H3
InChIKey
MFEWWQYHAZUIDX-UHFFFAOYSA-N
Compound name
2-ethoxyethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

356.32904 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.336316 199.9
[M+Na]+ 379.318258 200.5
[M-H]- 355.321764 197.2
[M+NH4]+ 374.362863 212.9
[M+K]+ 395.292198 197.4
[M+H-H2O]+ 339.326300 192.1
[M+HCOO]- 401.327241 218.3
[M+CH3COO]- 415.342891 220.1
[M+Na-2H]- 377.303706 197.2
[M]+ 356.32849142 210.2
[M]- 356.32958858 210.2
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