CID 16684288

Einecs 256-113-2

Structural Information

Molecular Formula
C40H78O5Sn2
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)O[Sn](C)(C)O[Sn](C)(C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/2C18H34O2.4CH3.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1H3;;;/q;;;;;;;2*+1/p-2/b10-9+;10-9-;;;;;;;
InChIKey
PSPGDGGOJDGOST-GIQUDXMJSA-L
Compound name
[[dimethyl-[(E)-octadec-9-enoyl]oxystannyl]oxy-dimethylstannyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

177
Patents

878.38934 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 879.39662 273.2
[M+Na]+ 901.37856 274.5
[M+NH4]+ 896.42316 275.6
[M+K]+ 917.35250 274.4
[M-H]- 877.38206 257.7
[M+Na-2H]- 899.36401 271.0
[M]+ 878.38879 269.6
[M]- 878.38989 269.6
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

No patent data available for this compound.