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]+ 162.05834 131.6
[M+Na]+ 184.04028 140.7
[M-H]- 160.04378 135.0
[M+NH4]+ 179.08488 152.7
[M+K]+ 200.01422 140.6
[M+H-H2O]+ 144.04832 126.6
[M+HCOO]- 206.04926 148.3
[M+CH3COO]- 220.06491 175.0
[M+Na-2H]- 182.02573 133.1
[M]+ 161.05051 134.6
[M]- 161.05161 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.