CID 6451935

Lauryl linoleate

Structural Information

Molecular Formula
C30H56O2
SMILES
CCCCCCCCCCCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C30H56O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17H,3-10,12,14-15,18-29H2,1-2H3/b13-11-,17-16-
InChIKey
YEVRRNZSZWIYCX-BIXSNLIQSA-N
Compound name
dodecyl (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

448.42804 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.43532 228.7
[M+Na]+ 471.41726 226.8
[M-H]- 447.42076 212.5
[M+NH4]+ 466.46186 227.5
[M+K]+ 487.39120 219.9
[M+H-H2O]+ 431.42530 219.9
[M+HCOO]- 493.42624 239.4
[M+CH3COO]- 507.44189 238.8
[M+Na-2H]- 469.40271 221.9
[M]+ 448.42749 229.4
[M]- 448.42859 229.4
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