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]+ 205.082766 140.4
[M+Na]+ 227.064708 146.0
[M-H]- 203.068214 140.9
[M+NH4]+ 222.109313 160.0
[M+K]+ 243.038648 142.2
[M+H-H2O]+ 187.072750 135.1
[M+HCOO]- 249.073691 147.8
[M+CH3COO]- 263.089341 185.5
[M+Na-2H]- 225.050156 140.1
[M]+ 204.07494142 136.9
[M]- 204.07603858 136.9
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.