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

423
Patents

314.12216 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12944 170.2
[M+Na]+ 337.11138 173.7
[M-H]- 313.11488 168.7
[M+NH4]+ 332.15598 185.1
[M+K]+ 353.08532 171.4
[M+H-H2O]+ 297.11942 162.9
[M+HCOO]- 359.12036 181.9
[M+CH3COO]- 373.13601 203.1
[M+Na-2H]- 335.09683 169.2
[M]+ 314.12161 183.1
[M]- 314.12271 183.1
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

patents stripe