CID 5363289

Oleyl acetate

Structural Information

Molecular Formula
C20H38O2
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)C
InChI
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11H,3-9,12-19H2,1-2H3/b11-10-
InChIKey
GYGAZRPDUOHMAF-KHPPLWFESA-N
Compound name
[(Z)-octadec-9-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

783
Patents

310.28717 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.29445 184.8
[M+Na]+ 333.27639 192.4
[M+NH4]+ 328.32099 190.1
[M+K]+ 349.25033 183.7
[M-H]- 309.27989 183.1
[M+Na-2H]- 331.26184 184.8
[M]+ 310.28662 185.1
[M]- 310.28772 185.1
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