CID 16683081

Tributyltin isopropyl succinate

Structural Information

Molecular Formula
C19H38O4Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)CCC(=O)OC(C)C
InChI
InChI=1S/C7H12O4.3C4H9.Sn/c1-5(2)11-7(10)4-3-6(8)9;3*1-3-4-2;/h5H,3-4H2,1-2H3,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
KOXHYDFHHIYRTI-UHFFFAOYSA-M
Compound name
1-O-propan-2-yl 4-O-tributylstannyl butanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

106
Patents

450.1792 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.186476 213.1
[M+Na]+ 473.168418 214.2
[M-H]- 449.171924 210.6
[M+NH4]+ 468.213023 222.4
[M+K]+ 489.142358 212.4
[M+H-H2O]+ 433.176460 205.7
[M+HCOO]- 495.177401 226.8
[M+CH3COO]- 509.193051 220.6
[M+Na-2H]- 471.153866 208.0
[M]+ 450.17865142 221.7
[M]- 450.17974858 221.7
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

patents stripe