CID 44147797

84029-62-9

Structural Information

Molecular Formula
C48H82O12Sn
SMILES
CCCCCCCCCCCC[Sn](OC(=O)C=CC(=O)OCCCCCC(C)C)(OC(=O)C=CC(=O)OCCCCCC(C)C)OC(=O)C=CC(=O)OCCCCCC(C)C
InChI
InChI=1S/3C12H20O4.C12H25.Sn/c3*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;1-3-5-7-9-11-12-10-8-6-4-2;/h3*7-8,10H,3-6,9H2,1-2H3,(H,13,14);1,3-12H2,2H3;/q;;;;+3/p-3
InChIKey
PMJUQNDLCIILTR-UHFFFAOYSA-K
Compound name
4-O-[dodecyl-bis[[4-(6-methylheptoxy)-4-oxobut-2-enoyl]oxy]stannyl] 1-O-(6-methylheptyl) but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

970.48285 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 971.49013 310.1
[M+Na]+ 993.47207 309.9
[M+NH4]+ 988.51667 320.4
[M+K]+ 1009.4460 314.3
[M-H]- 969.47557 307.1
[M+Na-2H]- 991.45752 309.4
[M]+ 970.48230 311.2
[M]- 970.48340 311.2
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.