CID 35713

31007-55-3

Structural Information

Molecular Formula
C10H20NS2
SMILES
C[N+]1(CCCCCC1)C2CSSC2
InChI
InChI=1S/C10H20NS2/c1-11(10-8-12-13-9-10)6-4-2-3-5-7-11/h10H,2-9H2,1H3/q+1
InChIKey
IVPXZVDXNXMJKW-UHFFFAOYSA-N
Compound name
1-(dithiolan-4-yl)-1-methylazepan-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10371 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11099 148.0
[M+Na]+ 241.09293 149.7
[M-H]- 217.09643 152.5
[M+NH4]+ 236.13753 166.9
[M+K]+ 257.06687 145.1
[M+H-H2O]+ 201.10097 143.9
[M+HCOO]- 263.10191 154.3
[M+CH3COO]- 277.11756 179.0
[M+Na-2H]- 239.07838 147.5
[M]+ 218.10316 138.2
[M]- 218.10426 138.2
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.