CID 3024234

2-methoxyethyl docosanoate

Structural Information

Molecular Formula
C25H50O3
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOC
InChI
InChI=1S/C25H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(26)28-24-23-27-2/h3-24H2,1-2H3
InChIKey
UKUZOKUATMVQAC-UHFFFAOYSA-N
Compound name
2-methoxyethyl docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

398.376 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.383276 213.1
[M+Na]+ 421.365218 212.4
[M-H]- 397.368724 209.7
[M+NH4]+ 416.409823 216.1
[M+K]+ 437.339158 208.5
[M+H-H2O]+ 381.373260 204.7
[M+HCOO]- 443.374201 228.0
[M+CH3COO]- 457.389851 228.9
[M+Na-2H]- 419.350666 208.8
[M]+ 398.37545142 224.5
[M]- 398.37654858 224.5
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