CID 53436591

Peg-3 dipalmitate

Structural Information

Molecular Formula
C38H74O6
SMILES
CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C38H74O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(39)43-35-33-41-31-32-42-34-36-44-38(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKey
CXBCIWUDBGGBGD-UHFFFAOYSA-N
Compound name
2-[2-(2-hexadecanoyloxyethoxy)ethoxy]ethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

132
Patents

626.5485 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 627.55578 267.8
[M+Na]+ 649.53772 271.9
[M-H]- 625.54122 252.3
[M+NH4]+ 644.58232 271.1
[M+K]+ 665.51166 273.6
[M+H-H2O]+ 609.54576 268.4
[M+HCOO]- 671.54670 272.8
[M+CH3COO]- 685.56235 269.9
[M+Na-2H]- 647.52317 250.1
[M]+ 626.54795 268.6
[M]- 626.54905 268.6
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