CID 6436729

Octyl oleate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2618
Patents

394.38107 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.38835 210.7
[M+Na]+ 417.37029 217.1
[M+NH4]+ 412.41489 215.4
[M+K]+ 433.34423 207.0
[M-H]- 393.37379 208.8
[M+Na-2H]- 415.35574 209.2
[M]+ 394.38052 210.7
[M]- 394.38162 210.7
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