CID 115683629

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

Structural Information

Molecular Formula
C8H16N2OS
SMILES
CC1(CN(CCS1)CC(=O)N)C
InChI
InChI=1S/C8H16N2OS/c1-8(2)6-10(3-4-12-8)5-7(9)11/h3-6H2,1-2H3,(H2,9,11)
InChIKey
GUDLZOSQUQRHCK-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylthiomorpholin-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09833 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10561 140.3
[M+Na]+ 211.08755 145.9
[M-H]- 187.09105 141.5
[M+NH4]+ 206.13215 160.5
[M+K]+ 227.06149 144.2
[M+H-H2O]+ 171.09559 134.8
[M+HCOO]- 233.09653 153.9
[M+CH3COO]- 247.11218 182.7
[M+Na-2H]- 209.07300 141.8
[M]+ 188.09778 137.3
[M]- 188.09888 137.3
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.