CID 116404913

2-(2,2-dimethylthiomorpholin-4-yl)ethanethioamide

Structural Information

Molecular Formula
C8H16N2S2
SMILES
CC1(CN(CCS1)CC(=S)N)C
InChI
InChI=1S/C8H16N2S2/c1-8(2)6-10(3-4-12-8)5-7(9)11/h3-6H2,1-2H3,(H2,9,11)
InChIKey
DTLRDRGBHJSMCP-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylthiomorpholin-4-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07549 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08277 142.4
[M+Na]+ 227.06471 150.7
[M+NH4]+ 222.10931 152.5
[M+K]+ 243.03865 140.1
[M-H]- 203.06821 144.3
[M+Na-2H]- 225.05016 146.9
[M]+ 204.07494 145.0
[M]- 204.07604 145.0
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.