CID 66935

106-07-0

Structural Information

Molecular Formula
C26H52O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCO
InChI
InChI=1S/C26H52O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28)32-25-24-31-23-22-30-21-20-29-19-18-27/h27H,2-25H2,1H3
InChIKey
SBKDIDITONHJHI-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

611
Patents

460.3764 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.38368 230.0
[M+Na]+ 483.36562 230.4
[M+NH4]+ 478.41022 230.0
[M+K]+ 499.33956 228.8
[M-H]- 459.36912 215.7
[M+Na-2H]- 481.35107 230.8
[M]+ 460.37585 225.9
[M]- 460.37695 225.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe