CID 45934105

Linoleyl laurate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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

No literature data available for this compound.

Patent stripe

patents stripe