CID 71587394

Diisostearyl dimer dilinoleate

Structural Information

Molecular Formula
C72H136O4
SMILES
CCCCCCC1C=CC(C(C1CCCCCC)C=CCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C)CCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C72H136O4/c1-7-9-11-45-55-67-61-62-68(56-46-37-34-40-50-60-72(74)76-64-52-42-33-26-22-18-14-16-20-24-29-36-44-54-66(5)6)70(69(67)57-47-12-10-8-2)58-48-38-30-27-31-39-49-59-71(73)75-63-51-41-32-25-21-17-13-15-19-23-28-35-43-53-65(3)4/h48,58,61-62,65-70H,7-47,49-57,59-60,63-64H2,1-6H3
InChIKey
VRACDWUCKIDHCO-UHFFFAOYSA-N
Compound name
16-methylheptadecyl 10-[5,6-dihexyl-2-[8-(16-methylheptadecoxy)-8-oxooctyl]cyclohex-3-en-1-yl]dec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

972
Patents

1065.0438 Da
Monoisotopic Mass

31.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1066.0511 366.6
[M+Na]+ 1088.0330 363.4
[M+NH4]+ 1083.0776 365.2
[M+K]+ 1104.0070 368.8
[M-H]- 1064.0365 342.4
[M+Na-2H]- 1086.0185 354.9
[M]+ 1065.0433 360.5
[M]- 1065.0443 360.5
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