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]+ 174.058336 136.8
[M+Na]+ 196.040278 143.7
[M-H]- 172.043784 141.4
[M+NH4]+ 191.084883 157.7
[M+K]+ 212.014218 142.9
[M+H-H2O]+ 156.048320 131.8
[M+HCOO]- 218.049261 151.4
[M+CH3COO]- 232.064911 149.6
[M+Na-2H]- 194.025726 136.0
[M]+ 173.05051142 133.7
[M]- 173.05160858 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.