CID 16684494

61467-81-0

Structural Information

Molecular Formula
C52H100O6Sn
SMILES
CCCCCCCC[Sn](OC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC)(OC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC)CCCCCCCC
InChI
InChI=1S/2C18H34O3.2C8H17.Sn/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;2*1-3-5-7-8-6-4-2;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*12-9-;;;/t2*17-;;;/m11.../s1
InChIKey
BJEVDDTWPUPCPC-WSYPVFPHSA-L
Compound name
[[(Z,12R)-12-hydroxyoctadec-9-enoyl]oxy-dioctylstannyl] (Z,12R)-12-hydroxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

153
Patents

940.6542 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 941.66148 309.7
[M+Na]+ 963.64342 309.6
[M+NH4]+ 958.68802 311.6
[M+K]+ 979.61736 312.3
[M-H]- 939.64692 293.5
[M+Na-2H]- 961.62887 304.5
[M]+ 940.65365 305.9
[M]- 940.65475 305.9
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