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: 26
Patents: 190.04861 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.05589	137.0
[M+Na]+	213.03783	145.3
[M+NH4]+	208.08243	149.0
[M+K]+	229.01177	135.6
[M-H]-	189.04133	140.0
[M+Na-2H]-	211.02328	142.1
[M]+	190.04806	140.0
[M]-	190.04916	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe