CID 3003256

Ethanedithioamide, n,n-diethyl-

Structural Information

Molecular Formula
C6H12N2S2
SMILES
CCN(CC)C(=S)C(=S)N
InChI
InChI=1S/C6H12N2S2/c1-3-8(4-2)6(10)5(7)9/h3-4H2,1-2H3,(H2,7,9)
InChIKey
AMWWXNRKVXNKSO-UHFFFAOYSA-N
Compound name
N',N'-diethylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

176.04419 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05147 137.0
[M+Na]+ 199.03341 142.4
[M-H]- 175.03691 137.7
[M+NH4]+ 194.07801 157.1
[M+K]+ 215.00735 139.6
[M+H-H2O]+ 159.04145 130.7
[M+HCOO]- 221.04239 148.6
[M+CH3COO]- 235.05804 186.8
[M+Na-2H]- 197.01886 134.9
[M]+ 176.04364 136.5
[M]- 176.04474 136.5
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.