CID 110756

6050-68-6

Structural Information

Molecular Formula
C4H5NO3S
SMILES
C(C1C(=O)OC(=O)N1)S
InChI
InChI=1S/C4H5NO3S/c6-3-2(1-9)5-4(7)8-3/h2,9H,1H2,(H,5,7)
InChIKey
USAOVMCIRGPAQF-UHFFFAOYSA-N
Compound name
4-(sulfanylmethyl)-1,3-oxazolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.99901 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.006286 125.6
[M+Na]+ 169.988228 135.1
[M-H]- 145.991734 127.8
[M+NH4]+ 165.032833 146.2
[M+K]+ 185.962168 134.4
[M+H-H2O]+ 129.996270 121.0
[M+HCOO]- 191.997211 141.8
[M+CH3COO]- 206.012861 167.5
[M+Na-2H]- 167.973676 127.7
[M]+ 146.99846142 126.6
[M]- 146.99955858 126.6
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.