CID 16063802

Dodecanoic acid, 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl ester

Structural Information

Molecular Formula
C20H40O6
SMILES
CCCCCCCCCCCC(=O)OCCOCCOCCOCCO
InChI
InChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-20(22)26-19-18-25-17-16-24-15-14-23-13-12-21/h21H,2-19H2,1H3
InChIKey
DYQXMFHEZICODL-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

376.2825 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.28978 197.8
[M+Na]+ 399.27172 198.5
[M-H]- 375.27522 193.9
[M+NH4]+ 394.31632 204.3
[M+K]+ 415.24566 196.7
[M+H-H2O]+ 359.27976 189.9
[M+HCOO]- 421.28070 216.6
[M+CH3COO]- 435.29635 217.3
[M+Na-2H]- 397.25717 196.1
[M]+ 376.28195 209.8
[M]- 376.28305 209.8
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