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 242.9
[M+Na]+ 627.19502 252.6
[M-H]- 603.19852 244.9
[M+NH4]+ 622.23962 257.9
[M+K]+ 643.16896 251.5
[M+H-H2O]+ 587.20306 245.6
[M+HCOO]- 649.20400 246.9
[M+CH3COO]- 663.21965 244.9
[M+Na-2H]- 625.18047 232.5
[M]+ 604.20525 243.3
[M]- 604.20635 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.