CID 16684180

Bis(tributylstannyl) itaconate

Structural Information

Molecular Formula
C29H58O4Sn2
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)CC(=C)C(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C5H6O4.6C4H9.2Sn/c1-3(5(8)9)2-4(6)7;6*1-3-4-2;;/h1-2H2,(H,6,7)(H,8,9);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2
InChIKey
HCYQUDAPBSFLSL-UHFFFAOYSA-L
Compound name
bis(tributylstannyl) 2-methylidenebutanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

17
Patents

710.2379 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 711.24518 271.3
[M+Na]+ 733.22712 279.3
[M-H]- 709.23062 264.8
[M+NH4]+ 728.27172 279.4
[M+K]+ 749.20106 281.5
[M+H-H2O]+ 693.23516 268.9
[M+HCOO]- 755.23610 278.8
[M+CH3COO]- 769.25175 255.8
[M+Na-2H]- 731.21257 255.7
[M]+ 710.23735 269.9
[M]- 710.23845 269.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe