CID 132371508

3-ethyl-5-(sulfanylmethyl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C6H11NO2S
SMILES
CCN1CC(OC1=O)CS
InChI
InChI=1S/C6H11NO2S/c1-2-7-3-5(4-10)9-6(7)8/h5,10H,2-4H2,1H3
InChIKey
FDJIGRKVAQNCSP-UHFFFAOYSA-N
Compound name
3-ethyl-5-(sulfanylmethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.05106 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.058336 131.6
[M+Na]+ 184.040278 140.7
[M-H]- 160.043784 135.0
[M+NH4]+ 179.084883 152.7
[M+K]+ 200.014218 140.6
[M+H-H2O]+ 144.048320 126.6
[M+HCOO]- 206.049261 148.3
[M+CH3COO]- 220.064911 175.0
[M+Na-2H]- 182.025726 133.1
[M]+ 161.05051142 134.6
[M]- 161.05160858 134.6
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.