CID 13128509

Hexa(ethylene glycol) dithiol

Structural Information

Molecular Formula

C₁₂H₂₆O₅S₂

SMILES

C(COCCOCCS)OCCOCCOCCS

InChI

InChI=1S/C12H26O5S2/c18-11-9-16-7-5-14-3-1-13-2-4-15-6-8-17-10-12-19/h18-19H,1-12H2

InChIKey

DMHSDYYORJTHAS-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 249
Patents: 314.12216 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.129436	170.2
[M+Na]+	337.111378	173.7
[M-H]-	313.114884	168.7
[M+NH4]+	332.155983	185.1
[M+K]+	353.085318	171.4
[M+H-H2O]+	297.119420	162.9
[M+HCOO]-	359.120361	181.9
[M+CH3COO]-	373.136011	203.1
[M+Na-2H]-	335.096826	169.2
[M]+	314.12161142	183.1
[M]-	314.12270858	183.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe