CID 207879

31007-54-2

Structural Information

Molecular Formula
C9H18NS2
SMILES
C[N+]1(CCCCC1)C2CSSC2
InChI
InChI=1S/C9H18NS2/c1-10(5-3-2-4-6-10)9-7-11-12-8-9/h9H,2-8H2,1H3/q+1
InChIKey
XSWUPBHCGYHNGS-UHFFFAOYSA-N
Compound name
1-(dithiolan-4-yl)-1-methylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08807 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09535 138.8
[M+Na]+ 227.07729 144.0
[M-H]- 203.08079 143.1
[M+NH4]+ 222.12189 160.5
[M+K]+ 243.05123 136.1
[M+H-H2O]+ 187.08533 136.0
[M+HCOO]- 249.08627 146.5
[M+CH3COO]- 263.10192 173.7
[M+Na-2H]- 225.06274 140.4
[M]+ 204.08752 132.4
[M]- 204.08862 132.4
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.