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 323.5
[M+Na]+ 993.47207 330.5
[M-H]- 969.47557 326.5
[M+NH4]+ 988.51667 346.7
[M+K]+ 1009.4460 338.1
[M+H-H2O]+ 953.48011 326.2
[M+HCOO]- 1015.4811 313.4
[M+CH3COO]- 1029.4967 307.3
[M+Na-2H]- 991.45752 305.8
[M]+ 970.48230 328.6
[M]- 970.48340 328.6
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.