CID 44153583

Oxydiethylene diricinoleate

Structural Information

Molecular Formula
C40H74O7
SMILES
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCCOCCOC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
InChI
InChI=1S/C40H74O7/c1-3-5-7-21-27-37(41)29-23-17-13-9-11-15-19-25-31-39(43)46-35-33-45-34-36-47-40(44)32-26-20-16-12-10-14-18-24-30-38(42)28-22-8-6-4-2/h17-18,23-24,37-38,41-42H,3-16,19-22,25-36H2,1-2H3/b23-17-,24-18-/t37-,38-/m1/s1
InChIKey
NJQUPDZEJKATJY-HWDNKUKLSA-N
Compound name
2-[2-[(Z,12R)-12-hydroxyoctadec-9-enoyl]oxyethoxy]ethyl (Z,12R)-12-hydroxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

666.54346 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.55074 272.9
[M+Na]+ 689.53268 273.2
[M+NH4]+ 684.57728 274.5
[M+K]+ 705.50662 274.2
[M-H]- 665.53618 260.7
[M+Na-2H]- 687.51813 271.4
[M]+ 666.54291 269.9
[M]- 666.54401 269.9
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