CID 20483

2,2'-trithiobisethanol

Structural Information

Molecular Formula
C4H10O2S3
SMILES
C(CSSSCCO)O
InChI
InChI=1S/C4H10O2S3/c5-1-3-7-9-8-4-2-6/h5-6H,1-4H2
InChIKey
PSTIDNOIODJAFC-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethyltrisulfanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

94
Patents

185.9843 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.99158 132.7
[M+Na]+ 208.97352 138.8
[M-H]- 184.97702 129.1
[M+NH4]+ 204.01812 150.8
[M+K]+ 224.94746 132.9
[M+H-H2O]+ 168.98156 127.5
[M+HCOO]- 230.98250 136.7
[M+CH3COO]- 244.99815 175.1
[M+Na-2H]- 206.95897 132.3
[M]+ 185.98375 133.8
[M]- 185.98485 133.8
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