CID 6438028

2-ethylhexyl oleate

Structural Information

Molecular Formula
C26H50O2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CC)CCCC
InChI
InChI=1S/C26H50O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h14-15,25H,4-13,16-24H2,1-3H3/b15-14-
InChIKey
FOKDITTZHHDEHD-PFONDFGASA-N
Compound name
2-ethylhexyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1774
Patents

394.38107 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.388346 214.1
[M+Na]+ 417.370288 213.3
[M-H]- 393.373794 210.8
[M+NH4]+ 412.414893 216.1
[M+K]+ 433.344228 208.5
[M+H-H2O]+ 377.378330 206.0
[M+HCOO]- 439.379271 224.9
[M+CH3COO]- 453.394921 229.3
[M+Na-2H]- 415.355736 208.0
[M]+ 394.38052142 223.0
[M]- 394.38161858 223.0
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