CID 71587487

Butyloctyl oleate

Structural Information

Molecular Formula
C30H58O2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CCCC)CCCCCC
InChI
InChI=1S/C30H58O2/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-22-24-27-30(31)32-28-29(25-9-6-3)26-23-11-8-5-2/h16-17,29H,4-15,18-28H2,1-3H3/b17-16-
InChIKey
KGNXFDVQTGOAAK-MSUUIHNZSA-N
Compound name
2-butyloctyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

450.4437 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.45098 227.8
[M+Na]+ 473.43292 233.0
[M+NH4]+ 468.47752 230.5
[M+K]+ 489.40686 230.7
[M-H]- 449.43642 215.5
[M+Na-2H]- 471.41837 224.9
[M]+ 450.44315 226.8
[M]- 450.44425 226.8
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