CID 6441653

Ethylhexyl linolate

Structural Information

Molecular Formula
C26H48O2
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(CC)CCCC
InChI
InChI=1S/C26H48O2/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/h11-12,14-15,25H,4-10,13,16-24H2,1-3H3/b12-11-,15-14-
InChIKey
PSAAPHZQPIWZFX-HDXUUTQWSA-N
Compound name
2-ethylhexyl (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

392.36542 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.37270 212.4
[M+Na]+ 415.35464 212.0
[M-H]- 391.35814 209.2
[M+NH4]+ 410.39924 214.2
[M+K]+ 431.32858 206.6
[M+H-H2O]+ 375.36268 204.5
[M+HCOO]- 437.36362 223.6
[M+CH3COO]- 451.37927 227.9
[M+Na-2H]- 413.34009 206.4
[M]+ 392.36487 220.6
[M]- 392.36597 220.6
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