CID 5363269

Ethyl oleate

Structural Information

Molecular Formula
C20H38O2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC
InChI
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-
InChIKey
LVGKNOAMLMIIKO-QXMHVHEDSA-N
Compound name
ethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

165
References

7689
Patents

310.28717 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.29445 186.6
[M+Na]+ 333.27639 188.6
[M-H]- 309.27989 184.5
[M+NH4]+ 328.32099 201.7
[M+K]+ 349.25033 184.9
[M+H-H2O]+ 293.28443 179.6
[M+HCOO]- 355.28537 205.7
[M+CH3COO]- 369.30102 210.9
[M+Na-2H]- 331.26184 185.0
[M]+ 310.28662 194.0
[M]- 310.28772 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