CID 3018784

Diethylene glycol palmitate stearate

Structural Information

Molecular Formula
C38H74O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(40)43-36-34-41-33-35-42-37(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKey
MCLNYOLKHHBCPJ-UHFFFAOYSA-N
Compound name
2-(2-hexadecanoyloxyethoxy)ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

610.55365 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.560926 265.1
[M+Na]+ 633.542868 269.7
[M-H]- 609.546374 248.9
[M+NH4]+ 628.587473 267.6
[M+K]+ 649.516808 271.5
[M+H-H2O]+ 593.550910 265.5
[M+HCOO]- 655.551851 270.1
[M+CH3COO]- 669.567501 268.3
[M+Na-2H]- 631.528316 247.8
[M]+ 610.55310142 265.7
[M]- 610.55419858 265.7
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