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]+ 175.060976 135.9
[M+Na]+ 197.042918 141.7
[M-H]- 173.046424 140.4
[M+NH4]+ 192.087523 160.5
[M+K]+ 213.016858 139.1
[M+H-H2O]+ 157.050960 131.5
[M+HCOO]- 219.051901 145.4
[M+CH3COO]- 233.067551 148.0
[M+Na-2H]- 195.028366 137.0
[M]+ 174.05315142 131.2
[M]- 174.05424858 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.