CID 44147395

84029-79-8

Structural Information

Molecular Formula
C36H64O8Sn
SMILES
CCCCCCCCCCCC[Sn](OC(=O)/C=C\C(=O)OCC)(OC(=O)/C=C\C(=O)OCC)CCCCCCCCCCCC
InChI
InChI=1S/2C12H25.2C6H8O4.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-2-10-6(9)4-3-5(7)8;/h2*1,3-12H2,2H3;2*3-4H,2H2,1H3,(H,7,8);/q;;;;+2/p-2/b;;2*4-3-;
InChIKey
JXBYJBIZKJAFKV-DERJAXIWSA-L
Compound name
4-O-[didodecyl-[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-ethyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

744.3623 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.369576 278.0
[M+Na]+ 767.351518 284.9
[M-H]- 743.355024 273.2
[M+NH4]+ 762.396123 289.6
[M+K]+ 783.325458 286.8
[M+H-H2O]+ 727.359560 278.4
[M+HCOO]- 789.360501 282.6
[M+CH3COO]- 803.376151 271.1
[M+Na-2H]- 765.336966 261.9
[M]+ 744.36175142 277.9
[M]- 744.36284858 277.9
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