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 140.4
[M+Na]+ 227.06471 146.0
[M-H]- 203.06821 140.9
[M+NH4]+ 222.10931 160.0
[M+K]+ 243.03865 142.2
[M+H-H2O]+ 187.07275 135.1
[M+HCOO]- 249.07369 147.8
[M+CH3COO]- 263.08934 185.5
[M+Na-2H]- 225.05016 140.1
[M]+ 204.07494 136.9
[M]- 204.07604 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.