CID 44146150

84029-78-7

Structural Information

Molecular Formula
C30H46O12Sn
SMILES
CCCCCCCCCCCC[Sn](OC(=O)/C=C\C(=O)OCC)(OC(=O)/C=C\C(=O)OCC)OC(=O)/C=C\C(=O)OCC
InChI
InChI=1S/C12H25.3C6H8O4.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-2-10-6(9)4-3-5(7)8;/h1,3-12H2,2H3;3*3-4H,2H2,1H3,(H,7,8);/q;;;;+3/p-3/b;3*4-3-;
InChIKey
CDRAXUFZXHOXOA-XUHIWKAKSA-K
Compound name
4-O-[dodecyl-bis[[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxy]stannyl] 1-O-ethyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

718.2011 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 719.20838 247.5
[M+Na]+ 741.19032 249.1
[M+NH4]+ 736.23492 255.9
[M+K]+ 757.16426 250.1
[M-H]- 717.19382 246.9
[M+Na-2H]- 739.17577 251.8
[M]+ 718.20055 248.8
[M]- 718.20165 248.8
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.