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]+ 146.063416 128.3
[M+Na]+ 168.045358 135.7
[M-H]- 144.048864 129.2
[M+NH4]+ 163.089963 148.6
[M+K]+ 184.019298 133.2
[M+H-H2O]+ 128.053400 123.1
[M+HCOO]- 190.054341 141.8
[M+CH3COO]- 204.069991 170.6
[M+Na-2H]- 166.030806 129.9
[M]+ 145.05559142 125.2
[M]- 145.05668858 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.