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
5
Annotation Hits

0
References

1019
Patents

310.28717 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.294446 186.6
[M+Na]+ 333.276388 188.6
[M-H]- 309.279894 184.5
[M+NH4]+ 328.320993 201.7
[M+K]+ 349.250328 184.9
[M+H-H2O]+ 293.284430 179.6
[M+HCOO]- 355.285371 205.7
[M+CH3COO]- 369.301021 210.9
[M+Na-2H]- 331.261836 185.0
[M]+ 310.28662142 194.0
[M]- 310.28771858 194.0
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