CID 3086833

1-(methylthio)ethyl diethylcarbamodithioate

Structural Information

Molecular Formula
C8H17NS3
SMILES
CCN(CC)C(=S)SC(C)SC
InChI
InChI=1S/C8H17NS3/c1-5-9(6-2)8(10)12-7(3)11-4/h7H,5-6H2,1-4H3
InChIKey
QFHMIOGIJQTRAZ-UHFFFAOYSA-N
Compound name
1-methylsulfanylethyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.0523 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05958 146.3
[M+Na]+ 246.04152 151.1
[M-H]- 222.04502 146.5
[M+NH4]+ 241.08612 164.8
[M+K]+ 262.01546 146.9
[M+H-H2O]+ 206.04956 139.6
[M+HCOO]- 268.05050 150.5
[M+CH3COO]- 282.06615 195.1
[M+Na-2H]- 244.02697 142.9
[M]+ 223.05175 148.3
[M]- 223.05285 148.3
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.