CID 34169

3,5-bis(ethylamino)-1,2-dithiolium iodide

Structural Information

Molecular Formula
C7H12N2S2
SMILES
CCNC1=CC(=NCC)SS1
InChI
InChI=1S/C7H12N2S2/c1-3-8-6-5-7(9-4-2)11-10-6/h5,8H,3-4H2,1-2H3
InChIKey
PBHAKKCEEZFXLF-UHFFFAOYSA-N
Compound name
N-ethyl-5-ethyliminodithiol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.04419 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05147 136.6
[M+Na]+ 211.03341 145.4
[M-H]- 187.03691 141.8
[M+NH4]+ 206.07801 159.2
[M+K]+ 227.00735 141.7
[M+H-H2O]+ 171.04145 130.5
[M+HCOO]- 233.04239 154.6
[M+CH3COO]- 247.05804 186.0
[M+Na-2H]- 209.01886 138.3
[M]+ 188.04364 139.5
[M]- 188.04474 139.5
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.