CID 412322

6336-41-0

Structural Information

Molecular Formula
C12H24S2
SMILES
C1CC[S+](C1)CCCC[S+]2CCCC2
InChI
InChI=1S/C12H24S2/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-12H2/q+2
InChIKey
GMVIGWZTPJIFBJ-UHFFFAOYSA-N
Compound name
1-[4-(thiolan-1-ium-1-yl)butyl]thiolan-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.13194 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13922 155.9
[M+Na]+ 255.12116 160.2
[M-H]- 231.12466 161.8
[M+NH4]+ 250.16576 177.0
[M+K]+ 271.09510 147.1
[M+H-H2O]+ 215.12920 155.7
[M+HCOO]- 277.13014 165.7
[M+CH3COO]- 291.14579 175.8
[M+Na-2H]- 253.10661 155.3
[M]+ 232.13139 150.9
[M]- 232.13249 150.9
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.