CID 9576330

67905-21-9

Structural Information

Molecular Formula
C12H24O4S2Sn
SMILES
CCC(=O)OCCS[Sn](C)(C)SCCOC(=O)CC
InChI
InChI=1S/2C5H10O2S.2CH3.Sn/c2*1-2-5(6)7-3-4-8;;;/h2*8H,2-4H2,1H3;2*1H3;/q;;;;+2/p-2
InChIKey
VEQLFJGAGYWYIR-UHFFFAOYSA-L
Compound name
2-[dimethyl(2-propanoyloxyethylsulfanyl)stannyl]sulfanylethyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.0138 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.02108 193.3
[M+Na]+ 439.00302 196.2
[M-H]- 415.00652 191.2
[M+NH4]+ 434.04762 207.3
[M+K]+ 454.97696 192.8
[M+H-H2O]+ 399.01106 185.8
[M+HCOO]- 461.01200 200.1
[M+CH3COO]- 475.02765 207.0
[M+Na-2H]- 436.98847 188.5
[M]+ 416.01325 202.1
[M]- 416.01435 202.1
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

No patent data available for this compound.