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
1
Annotation Hits

0
References

1
Patents

744.3623 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.36958 278.0
[M+Na]+ 767.35152 284.9
[M-H]- 743.35502 273.2
[M+NH4]+ 762.39612 289.6
[M+K]+ 783.32546 286.8
[M+H-H2O]+ 727.35956 278.4
[M+HCOO]- 789.36050 282.6
[M+CH3COO]- 803.37615 271.1
[M+Na-2H]- 765.33697 261.9
[M]+ 744.36175 277.9
[M]- 744.36285 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