CID 316413

1,4-dithiaspiro[4.5]decan-8-ol

Structural Information

Molecular Formula
C8H14OS2
SMILES
C1CC2(CCC1O)SCCS2
InChI
InChI=1S/C8H14OS2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7,9H,1-6H2
InChIKey
LAURNNUYMVKSSO-UHFFFAOYSA-N
Compound name
1,4-dithiaspiro[4.5]decan-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

190.04861 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05589 138.9
[M+Na]+ 213.03783 144.8
[M-H]- 189.04133 142.2
[M+NH4]+ 208.08243 162.4
[M+K]+ 229.01177 141.6
[M+H-H2O]+ 173.04587 135.1
[M+HCOO]- 235.04681 147.0
[M+CH3COO]- 249.06246 150.5
[M+Na-2H]- 211.02328 139.5
[M]+ 190.04806 134.2
[M]- 190.04916 134.2
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