CID 569272

2-[(2-{2-[(2-hydroxyethyl)sulfanyl]ethoxy}ethyl)sulfanyl]ethan-1-ol

Structural Information

Molecular Formula
C8H18O3S2
SMILES
C(CSCCOCCSCCO)O
InChI
InChI=1S/C8H18O3S2/c9-1-5-12-7-3-11-4-8-13-6-2-10/h9-10H,1-8H2
InChIKey
SYLONGMLAHNVOC-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

226.06973 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07701 147.4
[M+Na]+ 249.05895 152.2
[M-H]- 225.06245 143.9
[M+NH4]+ 244.10355 164.6
[M+K]+ 265.03289 148.0
[M+H-H2O]+ 209.06699 141.7
[M+HCOO]- 271.06793 156.9
[M+CH3COO]- 285.08358 182.6
[M+Na-2H]- 247.04440 146.9
[M]+ 226.06918 152.4
[M]- 226.07028 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe