CID 10198704

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

Structural Information

Molecular Formula
C8H18O2S3
SMILES
C(CSCCSCCSCCO)O
InChI
InChI=1S/C8H18O2S3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
InChIKey
VZYIKHZFVOUXKE-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

242.04689 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05417 148.0
[M+Na]+ 265.03611 152.5
[M-H]- 241.03961 143.6
[M+NH4]+ 260.08071 164.0
[M+K]+ 281.01005 145.6
[M+H-H2O]+ 225.04415 142.1
[M+HCOO]- 287.04509 150.9
[M+CH3COO]- 301.06074 186.5
[M+Na-2H]- 263.02156 146.1
[M]+ 242.04634 150.5
[M]- 242.04744 150.5
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