CID 44146150

Dtxsid001101142

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 267.7
[M+Na]+ 741.19032 276.2
[M-H]- 717.19382 273.1
[M+NH4]+ 736.23492 286.5
[M+K]+ 757.16426 274.9
[M+H-H2O]+ 701.19836 270.4
[M+HCOO]- 763.19930 272.0
[M+CH3COO]- 777.21495 259.6
[M+Na-2H]- 739.17577 254.9
[M]+ 718.20055 269.3
[M]- 718.20165 269.3
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.