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
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 258.1
[M+Na]+ 605.51156 263.1
[M-H]- 581.51506 242.8
[M+NH4]+ 600.55616 260.8
[M+K]+ 621.48550 264.1
[M+H-H2O]+ 565.51960 258.9
[M+HCOO]- 627.52054 264.0
[M+CH3COO]- 641.53619 262.8
[M+Na-2H]- 603.49701 241.8
[M]+ 582.52179 258.8
[M]- 582.52289 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