CID 223140

2-({5-[(2-hydroxyethyl)sulfanyl]pentyl}sulfanyl)ethan-1-ol

Structural Information

Molecular Formula
C9H20O2S2
SMILES
C(CCSCCO)CCSCCO
InChI
InChI=1S/C9H20O2S2/c10-4-8-12-6-2-1-3-7-13-9-5-11/h10-11H,1-9H2
InChIKey
OUUXMGPVGBYKHB-UHFFFAOYSA-N
Compound name
2-[5-(2-hydroxyethylsulfanyl)pentylsulfanyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.09047 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.097746 148.3
[M+Na]+ 247.079688 152.9
[M-H]- 223.083194 144.7
[M+NH4]+ 242.124293 165.7
[M+K]+ 263.053628 148.0
[M+H-H2O]+ 207.087730 142.7
[M+HCOO]- 269.088671 157.1
[M+CH3COO]- 283.104321 183.6
[M+Na-2H]- 245.065136 147.1
[M]+ 224.08992142 152.2
[M]- 224.09101858 152.2
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