CID 16684495

Dimethyltin bis(monoisooctyl maleate)

Structural Information

Molecular Formula
C26H44O8Sn
SMILES
CC(CCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCC(C)C)(C)C)C
InChI
InChI=1S/2C12H20O4.2CH3.Sn/c2*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;;;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1H3;/q;;;;+2/p-2/b2*8-7-;;;
InChIKey
IPYRRRHGNFJBCD-KKUWAICFSA-L
Compound name
4-O-[dimethyl-[(Z)-4-(6-methylheptoxy)-4-oxobut-2-enoyl]oxystannyl] 1-O-(6-methylheptyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.2058 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.21308 228.0
[M+Na]+ 627.19502 230.1
[M+NH4]+ 622.23962 234.6
[M+K]+ 643.16896 229.1
[M-H]- 603.19852 224.5
[M+Na-2H]- 625.18047 232.5
[M]+ 604.20525 227.9
[M]- 604.20635 227.9
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.