CID 6437535

Lauryl oleate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

5
References

3914
Patents

450.4437 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.45098 227.8
[M+Na]+ 473.43292 232.4
[M+NH4]+ 468.47752 229.1
[M+K]+ 489.40686 230.2
[M-H]- 449.43642 213.8
[M+Na-2H]- 471.41837 225.2
[M]+ 450.44315 225.9
[M]- 450.44425 225.9
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