CID 35707

1,2-dithiolan-4-yldiethylmethylammonium iodide

Structural Information

Molecular Formula
C8H18NS2
SMILES
CC[N+](C)(CC)C1CSSC1
InChI
InChI=1S/C8H18NS2/c1-4-9(3,5-2)8-6-10-11-7-8/h8H,4-7H2,1-3H3/q+1
InChIKey
WULAIDIPEQMFSZ-UHFFFAOYSA-N
Compound name
dithiolan-4-yl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08807 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09535 137.2
[M+Na]+ 215.07729 143.3
[M-H]- 191.08079 141.7
[M+NH4]+ 210.12189 159.5
[M+K]+ 231.05123 136.0
[M+H-H2O]+ 175.08533 134.5
[M+HCOO]- 237.08627 149.4
[M+CH3COO]- 251.10192 179.6
[M+Na-2H]- 213.06274 140.0
[M]+ 192.08752 136.3
[M]- 192.08862 136.3
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.