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 346.9
[M+Na]+ 1099.6959 351.1
[M-H]- 1075.6994 334.9
[M+NH4]+ 1094.7405 358.9
[M+K]+ 1115.6699 361.8
[M+H-H2O]+ 1059.7040 345.2
[M+HCOO]- 1121.7049 344.3
[M+CH3COO]- 1135.7206 329.9
[M+Na-2H]- 1097.6814 323.0
[M]+ 1076.7062 348.9
[M]- 1076.7072 348.9
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

No patent data available for this compound.