CID 13128509

Bis-peg5-thiol

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

420
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 171.4
[M+Na]+ 337.11138 177.7
[M+NH4]+ 332.15598 177.2
[M+K]+ 353.08532 168.5
[M-H]- 313.11488 169.5
[M+Na-2H]- 335.09683 170.8
[M]+ 314.12161 172.3
[M]- 314.12271 172.3
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