CID 95534

Dtxsid90988929

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 128.3
[M+Na]+ 168.04536 135.7
[M-H]- 144.04886 129.2
[M+NH4]+ 163.08996 148.6
[M+K]+ 184.01930 133.2
[M+H-H2O]+ 128.05340 123.1
[M+HCOO]- 190.05434 141.8
[M+CH3COO]- 204.06999 170.6
[M+Na-2H]- 166.03081 129.9
[M]+ 145.05559 125.2
[M]- 145.05669 125.2
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.