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

99
Patents

450.1792 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.18648 213.1
[M+Na]+ 473.16842 214.2
[M-H]- 449.17192 210.6
[M+NH4]+ 468.21302 222.4
[M+K]+ 489.14236 212.4
[M+H-H2O]+ 433.17646 205.7
[M+HCOO]- 495.17740 226.8
[M+CH3COO]- 509.19305 220.6
[M+Na-2H]- 471.15387 208.0
[M]+ 450.17865 221.7
[M]- 450.17975 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