CID 95534

69226-11-5

Structural Information

Molecular Formula
C6H11NOS
SMILES
CC1CSC(C(=O)N1)C
InChI
InChI=1S/C6H11NOS/c1-4-3-9-5(2)6(8)7-4/h4-5H,3H2,1-2H3,(H,7,8)
InChIKey
NSTLWQIRFPUZJP-UHFFFAOYSA-N
Compound name
2,5-dimethylthiomorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

145.05614 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06342 129.7
[M+Na]+ 168.04536 140.5
[M+NH4]+ 163.08996 138.6
[M+K]+ 184.01930 133.0
[M-H]- 144.04886 130.9
[M+Na-2H]- 166.03081 133.5
[M]+ 145.05559 131.9
[M]- 145.05669 131.9
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.