CID 101324

Oxydiethane-2,1-diyl 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
2
Annotation Hits

0
References

209
Patents

582.52234 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.529616 258.1
[M+Na]+ 605.511558 263.1
[M-H]- 581.515064 242.8
[M+NH4]+ 600.556163 260.8
[M+K]+ 621.485498 264.1
[M+H-H2O]+ 565.519600 258.9
[M+HCOO]- 627.520541 264.0
[M+CH3COO]- 641.536191 262.8
[M+Na-2H]- 603.497006 241.8
[M]+ 582.52179142 258.8
[M]- 582.52288858 258.8
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