CID 6436529

1,6-hexanediyl dioleate

Structural Information

Molecular Formula
C42H78O4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C42H78O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-41(43)45-39-35-31-32-36-40-46-42(44)38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-40H2,1-2H3/b19-17-,20-18-
InChIKey
ZNRNSKNVPBUUNI-CLFAGFIQSA-N
Compound name
6-[(Z)-octadec-9-enoyl]oxyhexyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

111
Patents

646.59 Da
Monoisotopic Mass

16.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.59728 272.9
[M+Na]+ 669.57922 273.8
[M+NH4]+ 664.62382 272.7
[M+K]+ 685.55316 274.3
[M-H]- 645.58272 255.6
[M+Na-2H]- 667.56467 270.2
[M]+ 646.58945 268.6
[M]- 646.59055 268.6
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