CID 66975

2-methoxyethyl stearate

Structural Information

Molecular Formula
C21H42O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOC
InChI
InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)24-20-19-23-2/h3-20H2,1-2H3
InChIKey
WWFMRRQOYPKLIM-UHFFFAOYSA-N
Compound name
2-methoxyethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

342.3134 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.320676 195.5
[M+Na]+ 365.302618 196.5
[M-H]- 341.306124 192.9
[M+NH4]+ 360.347223 209.1
[M+K]+ 381.276558 193.6
[M+H-H2O]+ 325.310660 187.9
[M+HCOO]- 387.311601 214.2
[M+CH3COO]- 401.327251 217.2
[M+Na-2H]- 363.288066 193.3
[M]+ 342.31285142 205.4
[M]- 342.31394858 205.4
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

No patent data available for this compound.