CID 92035155

68538-86-3

Structural Information

Molecular Formula
C60H108O8Sn
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCC/C=C\CCCCCCCC)(CCCCCCCC)CCCCCCCC
InChI
InChI=1S/2C22H38O4.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;2*1-3-5-7-8-6-4-2;/h2*9-10,18-19H,2-8,11-17,20H2,1H3,(H,23,24);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*10-9-,19-18?;;;
InChIKey
KCSPFIQERARSIT-KCJKCCLDSA-L
Compound name
4-O-[[4-[(Z)-octadec-9-enoxy]-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-[(Z)-octadec-9-enyl] but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1076.7067 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1077.7140 337.2
[M+Na]+ 1099.6959 337.1
[M+NH4]+ 1094.7405 341.3
[M+K]+ 1115.6699 341.7
[M-H]- 1075.6994 321.8
[M+Na-2H]- 1097.6814 331.0
[M]+ 1076.7062 334.6
[M]- 1076.7072 334.6
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.