CID 9091

2,3-dithiaspiro[4.5]decane

Structural Information

Molecular Formula
C8H14S2
SMILES
C1CCC2(CC1)CSSC2
InChI
InChI=1S/C8H14S2/c1-2-4-8(5-3-1)6-9-10-7-8/h1-7H2
InChIKey
HAXVUMKRJJJVDO-UHFFFAOYSA-N
Compound name
2,3-dithiaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0537 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06098 135.9
[M+Na]+ 197.04292 141.7
[M-H]- 173.04642 140.4
[M+NH4]+ 192.08752 160.5
[M+K]+ 213.01686 139.1
[M+H-H2O]+ 157.05096 131.5
[M+HCOO]- 219.05190 145.4
[M+CH3COO]- 233.06755 148.0
[M+Na-2H]- 195.02837 137.0
[M]+ 174.05315 131.2
[M]- 174.05425 131.2
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

No patent data available for this compound.