CID 101324

Diethylene glycol dipalmitate

Structural Information

Molecular Formula
C36H70O5
SMILES
CCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(37)40-33-31-39-32-34-41-36(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChIKey
CMEXPOMWCZNLNA-UHFFFAOYSA-N
Compound name
2-(2-hexadecanoyloxyethoxy)ethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

582.52234 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.52962 260.3
[M+Na]+ 605.51156 260.5
[M+NH4]+ 600.55616 260.9
[M+K]+ 621.48550 260.4
[M-H]- 581.51506 243.9
[M+Na-2H]- 603.49701 258.6
[M]+ 582.52179 256.0
[M]- 582.52289 256.0
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