CID 107133755

4-(thiolan-3-yl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C7H11NO2S
SMILES
C1CSCC1C2COC(=O)N2
InChI
InChI=1S/C7H11NO2S/c9-7-8-6(3-10-7)5-1-2-11-4-5/h5-6H,1-4H2,(H,8,9)
InChIKey
PKBMKQQAQNDIGS-UHFFFAOYSA-N
Compound name
4-(thiolan-3-yl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.05106 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05834 136.8
[M+Na]+ 196.04028 143.7
[M-H]- 172.04378 141.4
[M+NH4]+ 191.08488 157.7
[M+K]+ 212.01422 142.9
[M+H-H2O]+ 156.04832 131.8
[M+HCOO]- 218.04926 151.4
[M+CH3COO]- 232.06491 149.6
[M+Na-2H]- 194.02573 136.0
[M]+ 173.05051 133.7
[M]- 173.05161 133.7
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.