CID 117309

2-ethylhexyl octadec-9-enoate

Structural Information

Molecular Formula
C26H50O2
SMILES
CCCCCCCCC=CCCCCCCCC(=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
InChIKey
FOKDITTZHHDEHD-UHFFFAOYSA-N
Compound name
2-ethylhexyl octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2023
Patents

394.38107 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.38835 210.8
[M+Na]+ 417.37029 216.8
[M+NH4]+ 412.41489 216.7
[M+K]+ 433.34423 207.6
[M-H]- 393.37379 208.6
[M+Na-2H]- 415.35574 208.9
[M]+ 394.38052 210.6
[M]- 394.38162 210.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe