CID 84733

14970-87-7

Structural Information

Molecular Formula
C6H14O2S2
SMILES
C(COCCS)OCCS
InChI
InChI=1S/C6H14O2S2/c9-5-3-7-1-2-8-4-6-10/h9-10H,1-6H2
InChIKey
HCZMHWVFVZAHCR-UHFFFAOYSA-N
Compound name
2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

8869
Patents

182.04352 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05080 135.8
[M+Na]+ 205.03274 142.6
[M-H]- 181.03624 135.8
[M+NH4]+ 200.07734 156.4
[M+K]+ 221.00668 140.6
[M+H-H2O]+ 165.04078 130.3
[M+HCOO]- 227.04172 148.6
[M+CH3COO]- 241.05737 180.1
[M+Na-2H]- 203.01819 136.7
[M]+ 182.04297 142.4
[M]- 182.04407 142.4
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

No patent data available for this compound.