CID 61174

Ethylene glycol distearate

Structural Information

Molecular Formula
C38H74O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKey
FPVVYTCTZKCSOJ-UHFFFAOYSA-N
Compound name
2-octadecanoyloxyethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

0
References

62167
Patents

594.5587 Da
Monoisotopic Mass

16.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.565976 262.5
[M+Na]+ 617.547918 267.7
[M-H]- 593.551424 245.7
[M+NH4]+ 612.592523 264.3
[M+K]+ 633.521858 269.6
[M+H-H2O]+ 577.555960 262.8
[M+HCOO]- 639.556901 267.5
[M+CH3COO]- 653.572551 266.7
[M+Na-2H]- 615.533366 245.7
[M]+ 594.55815142 263.1
[M]- 594.55924858 263.1
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