CID 38060

3,5-bis(methylamino)-4-ethyl-1,2-dithiolium chloride

Structural Information

Molecular Formula
C7H12N2S2
SMILES
CCC1=C(SSC1=NC)NC
InChI
InChI=1S/C7H12N2S2/c1-4-5-6(8-2)10-11-7(5)9-3/h8H,4H2,1-3H3
InChIKey
VJDPCBNYWGHRBE-UHFFFAOYSA-N
Compound name
4-ethyl-N-methyl-5-methyliminodithiol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.04419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05147 136.4
[M+Na]+ 211.03341 146.0
[M-H]- 187.03691 142.0
[M+NH4]+ 206.07801 159.3
[M+K]+ 227.00735 142.2
[M+H-H2O]+ 171.04145 130.5
[M+HCOO]- 233.04239 154.3
[M+CH3COO]- 247.05804 187.1
[M+Na-2H]- 209.01886 137.4
[M]+ 188.04364 139.6
[M]- 188.04474 139.6
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.