CID 10465720

Thiol-peg4-alcohol

Structural Information

Molecular Formula
C8H18O4S
SMILES
C(COCCOCCOCCS)O
InChI
InChI=1S/C8H18O4S/c9-1-2-10-3-4-11-5-6-12-7-8-13/h9,13H,1-8H2
InChIKey
GKKYNULPAQDGHI-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

210.09258 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09986 146.2
[M+Na]+ 233.08180 151.7
[M-H]- 209.08530 144.5
[M+NH4]+ 228.12640 164.8
[M+K]+ 249.05574 150.7
[M+H-H2O]+ 193.08984 140.4
[M+HCOO]- 255.09078 163.3
[M+CH3COO]- 269.10643 182.3
[M+Na-2H]- 231.06725 148.4
[M]+ 210.09203 154.1
[M]- 210.09313 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe