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 172.0
[M+Na]+ 361.02547 176.2
[M-H]- 337.02897 174.4
[M+NH4]+ 356.07007 190.2
[M+K]+ 376.99941 174.6
[M+H-H2O]+ 321.03351 165.7
[M+HCOO]- 383.03445 184.7
[M+CH3COO]- 397.05010 193.2
[M+Na-2H]- 359.01092 172.3
[M]+ 338.03570 174.4
[M]- 338.03680 174.4
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