CID 13751691

1,7-dimercapto-3,5-dioxaheptane

Structural Information

Molecular Formula
C5H12O2S2
SMILES
C(CS)OCOCCS
InChI
InChI=1S/C5H12O2S2/c8-3-1-6-5-7-2-4-9/h8-9H,1-5H2
InChIKey
ZZKYRALDQPIHDZ-UHFFFAOYSA-N
Compound name
2-(2-sulfanylethoxymethoxy)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

168.02788 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03516 131.5
[M+Na]+ 191.01710 138.8
[M-H]- 167.02060 131.8
[M+NH4]+ 186.06170 152.7
[M+K]+ 206.99104 137.0
[M+H-H2O]+ 151.02514 126.3
[M+HCOO]- 213.02608 144.6
[M+CH3COO]- 227.04173 177.1
[M+Na-2H]- 189.00255 132.9
[M]+ 168.02733 137.8
[M]- 168.02843 137.8
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.