CID 6332392

13085-88-6

Structural Information

Molecular Formula
C10H20S2
SMILES
C1CC[S+](C1)CC[S+]2CCCC2
InChI
InChI=1S/C10H20S2/c1-2-6-11(5-1)9-10-12-7-3-4-8-12/h1-10H2/q+2
InChIKey
SLYVPOKITDGMIW-UHFFFAOYSA-N
Compound name
1-[2-(thiolan-1-ium-1-yl)ethyl]thiolan-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.10065 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10793 147.3
[M+Na]+ 227.08987 152.5
[M-H]- 203.09337 153.6
[M+NH4]+ 222.13447 169.5
[M+K]+ 243.06381 139.8
[M+H-H2O]+ 187.09791 147.5
[M+HCOO]- 249.09885 157.7
[M+CH3COO]- 263.11450 170.0
[M+Na-2H]- 225.07532 147.5
[M]+ 204.10010 141.7
[M]- 204.10120 141.7
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

No patent data available for this compound.