CID 5365187

Stearyl palmitoleate

Structural Information

Molecular Formula
C34H66O2
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-33H2,1-2H3/b16-14-
InChIKey
OVIHKESDPWIFII-PEZBUJJGSA-N
Compound name
octadecyl (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

506.5063 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.51358 244.2
[M+Na]+ 529.49552 245.7
[M+NH4]+ 524.54012 242.5
[M+K]+ 545.46946 244.1
[M-H]- 505.49902 226.0
[M+Na-2H]- 527.48097 243.1
[M]+ 506.50575 239.2
[M]- 506.50685 239.2
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