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]+ 605.213076 242.9
[M+Na]+ 627.195018 252.6
[M-H]- 603.198524 244.9
[M+NH4]+ 622.239623 257.9
[M+K]+ 643.168958 251.5
[M+H-H2O]+ 587.203060 245.6
[M+HCOO]- 649.204001 246.9
[M+CH3COO]- 663.219651 244.9
[M+Na-2H]- 625.180466 232.5
[M]+ 604.20525142 243.3
[M]- 604.20634858 243.3
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.