CID 44154158

Einecs 306-050-2

Structural Information

Molecular Formula
C44H76O4Sn
SMILES
CCCC[Sn](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)CCCC
InChI
InChI=1S/2C18H30O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;/h2*3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*4-3-,7-6-,10-9-;;;
InChIKey
HYKKXQXORJKATQ-VMTDMSJFSA-L
Compound name
[dibutyl-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxystannyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

788.47656 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 789.48384 273.4
[M+Na]+ 811.46578 276.3
[M+NH4]+ 806.51038 274.1
[M+K]+ 827.43972 276.5
[M-H]- 787.46928 258.9
[M+Na-2H]- 809.45123 271.8
[M]+ 788.47601 270.3
[M]- 788.47711 270.3
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