CID 44154328

84029-64-1

Structural Information

Molecular Formula
C48H88O8Sn
SMILES
CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCC(C)C)OC(=O)C=CC(=O)OCCCCCC(C)C
InChI
InChI=1S/2C12H20O4.2C12H25.Sn/c2*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-12H2,2H3;/q;;;;+2/p-2
InChIKey
AARHLQFEUGOVLL-UHFFFAOYSA-L
Compound name
4-O-[didodecyl-[4-(6-methylheptoxy)-4-oxobut-2-enoyl]oxystannyl] 1-O-(6-methylheptyl) but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

912.5501 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 913.55738 304.0
[M+Na]+ 935.53932 304.1
[M+NH4]+ 930.58392 310.0
[M+K]+ 951.51326 306.9
[M-H]- 911.54282 293.4
[M+Na-2H]- 933.52477 301.3
[M]+ 912.54955 302.4
[M]- 912.55065 302.4
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.