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
1
Annotation Hits

0
References

2
Patents

610.55365 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.56093 265.1
[M+Na]+ 633.54287 269.7
[M-H]- 609.54637 248.9
[M+NH4]+ 628.58747 267.6
[M+K]+ 649.51681 271.5
[M+H-H2O]+ 593.55091 265.5
[M+HCOO]- 655.55185 270.1
[M+CH3COO]- 669.56750 268.3
[M+Na-2H]- 631.52832 247.8
[M]+ 610.55310 265.7
[M]- 610.55420 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