CID 169800

Ethanol, 2,2'-[oxybis(methylenethio)]bis-

Structural Information

Molecular Formula
C6H14O3S2
SMILES
C(CSCOCSCCO)O
InChI
InChI=1S/C6H14O3S2/c7-1-3-10-5-9-6-11-4-2-8/h7-8H,1-6H2
InChIKey
QGECTPPOVMJXOX-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylsulfanylmethoxymethylsulfanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7
Patents

198.03844 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04572 139.2
[M+Na]+ 221.02766 144.9
[M-H]- 197.03116 136.1
[M+NH4]+ 216.07226 157.5
[M+K]+ 237.00160 141.2
[M+H-H2O]+ 181.03570 133.9
[M+HCOO]- 243.03664 149.2
[M+CH3COO]- 257.05229 176.7
[M+Na-2H]- 219.01311 139.6
[M]+ 198.03789 143.5
[M]- 198.03899 143.5
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.