CID 85006

15589-27-2

Structural Information

Molecular Formula
C8H16NS2
SMILES
C[N+]1(CCCC1)C2CSSC2
InChI
InChI=1S/C8H16NS2/c1-9(4-2-3-5-9)8-6-10-11-7-8/h8H,2-7H2,1H3/q+1
InChIKey
FIYHKGGTPLZPJK-UHFFFAOYSA-N
Compound name
1-(dithiolan-4-yl)-1-methylpyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07242 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07970 136.8
[M+Na]+ 213.06164 144.0
[M-H]- 189.06514 142.1
[M+NH4]+ 208.10624 161.1
[M+K]+ 229.03558 136.8
[M+H-H2O]+ 173.06968 134.8
[M+HCOO]- 235.07062 147.1
[M+CH3COO]- 249.08627 171.1
[M+Na-2H]- 211.04709 137.4
[M]+ 190.07187 132.6
[M]- 190.07297 132.6
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.