CID 86008094

78899-76-0

Structural Information

Molecular Formula
C8H20O4S2Sn
SMILES
C[Sn](C)(SCC(CO)O)SCC(CO)O
InChI
InChI=1S/2C3H8O2S.2CH3.Sn/c2*4-1-3(5)2-6;;;/h2*3-6H,1-2H2;2*1H3;/q;;;;+2/p-2
InChIKey
ZMTXELWPEWADKZ-UHFFFAOYSA-L
Compound name
3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

363.9825 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.989776 177.0
[M+Na]+ 386.971718 178.7
[M-H]- 362.975224 169.4
[M+NH4]+ 382.016323 190.0
[M+K]+ 402.945658 173.9
[M+H-H2O]+ 346.979760 170.7
[M+HCOO]- 408.980701 178.5
[M+CH3COO]- 422.996351 188.7
[M+Na-2H]- 384.957166 172.4
[M]+ 363.98195142 178.2
[M]- 363.98304858 178.2
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.