CID 16684134

5587-52-0

Structural Information

Molecular Formula
C28H44O8Sn
SMILES
CCCC[Sn](OC(=O)/C=C\C(=O)OC1CCCCC1)(OC(=O)/C=C\C(=O)OC2CCCCC2)CCCC
InChI
InChI=1S/2C10H14O4.2C4H9.Sn/c2*11-9(12)6-7-10(13)14-8-4-2-1-3-5-8;2*1-3-4-2;/h2*6-8H,1-5H2,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*7-6-;;;
InChIKey
WBYOSZYSBZQGDJ-KUAKSMGGSA-L
Compound name
1-O-cyclohexyl 4-O-[dibutyl-[(Z)-4-cyclohexyloxy-4-oxobut-2-enoyl]oxystannyl] (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

628.2058 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.213076 246.7
[M+Na]+ 651.195018 240.3
[M-H]- 627.198524 247.3
[M+NH4]+ 646.239623 249.6
[M+K]+ 667.168958 238.2
[M+H-H2O]+ 611.203060 236.6
[M+HCOO]- 673.204001 253.4
[M+CH3COO]- 687.219651 244.2
[M+Na-2H]- 649.180466 237.3
[M]+ 628.20525142 246.5
[M]- 628.20634858 246.5
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

patents stripe