CID 61026

Diethylene glycol distearate

Structural Information

Molecular Formula
C40H78O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(41)44-37-35-43-36-38-45-40(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
InChIKey
YKDMBTQVKVEMSA-UHFFFAOYSA-N
Compound name
2-(2-octadecanoyloxyethoxy)ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5
References

1379
Patents

638.5849 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.59218 271.9
[M+Na]+ 661.57412 276.2
[M-H]- 637.57762 255.0
[M+NH4]+ 656.61872 274.4
[M+K]+ 677.54806 278.8
[M+H-H2O]+ 621.58216 272.1
[M+HCOO]- 683.58310 276.1
[M+CH3COO]- 697.59875 273.7
[M+Na-2H]- 659.55957 253.8
[M]+ 638.58435 272.4
[M]- 638.58545 272.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe