CID 16684310

Dibutyltin maleate

Structural Information

Molecular Formula
C12H20O4Sn
SMILES
CCCC[Sn]1(OC(=O)C=CC(=O)O1)CCCC
InChI
InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
ZBBLRPRYYSJUCZ-UHFFFAOYSA-L
Compound name
2,2-dibutyl-1,3,2-dioxastannepine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

51
Patents

348.03836 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.04564 166.9
[M+Na]+ 371.02758 170.9
[M-H]- 347.03108 171.5
[M+NH4]+ 366.07218 181.7
[M+K]+ 387.00152 175.0
[M+H-H2O]+ 331.03562 160.9
[M+HCOO]- 393.03656 184.7
[M+CH3COO]- 407.05221 197.6
[M+Na-2H]- 369.01303 170.7
[M]+ 348.03781 168.6
[M]- 348.03891 168.6
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