CID 44150672

Ethylene didocosanoate

Structural Information

Molecular Formula
C46H90O4
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C46H90O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45(47)49-43-44-50-46(48)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3
InChIKey
ZAXRTBFZGJJUGM-UHFFFAOYSA-N
Compound name
2-docosanoyloxyethyl docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

658
Patents

706.6839 Da
Monoisotopic Mass

21.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 707.69118 290.1
[M+Na]+ 729.67312 289.7
[M+NH4]+ 724.71772 289.8
[M+K]+ 745.64706 291.2
[M-H]- 705.67662 270.0
[M+Na-2H]- 727.65857 285.2
[M]+ 706.68335 284.9
[M]- 706.68445 284.9
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