CID 16682766

Dibutyltin mercaptopropionate

Structural Information

Molecular Formula
C11H22O2SSn
SMILES
CCCC[Sn]1(OC(=O)CCS1)CCCC
InChI
InChI=1S/2C4H9.C3H6O2S.Sn/c2*1-3-4-2;4-3(5)1-2-6;/h2*1,3-4H2,2H3;6H,1-2H2,(H,4,5);/q;;;+2/p-2
InChIKey
IRIAEMUUDSWZOX-UHFFFAOYSA-L
Compound name
2,2-dibutyl-1,3,2-oxathiastanninan-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

266
Patents

338.03625 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.04353 170.2
[M+Na]+ 361.02547 179.6
[M+NH4]+ 356.07007 179.4
[M+K]+ 376.99941 168.4
[M-H]- 337.02897 172.8
[M+Na-2H]- 359.01092 173.4
[M]+ 338.03570 172.8
[M]- 338.03680 172.8
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