CID 57747500

5-[2-(methylsulfanyl)ethyl]-1,3-oxazolidine-2,4-dione

Structural Information

Molecular Formula
C6H9NO3S
SMILES
CSCCC1C(=O)NC(=O)O1
InChI
InChI=1S/C6H9NO3S/c1-11-3-2-4-5(8)7-6(9)10-4/h4H,2-3H2,1H3,(H,7,8,9)
InChIKey
YAFPYSRADZDBFU-UHFFFAOYSA-N
Compound name
5-(2-methylsulfanylethyl)-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

175.03032 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.037596 134.5
[M+Na]+ 198.019538 143.2
[M-H]- 174.023044 136.4
[M+NH4]+ 193.064143 154.1
[M+K]+ 213.993478 142.0
[M+H-H2O]+ 158.027580 129.5
[M+HCOO]- 220.028521 150.1
[M+CH3COO]- 234.044171 173.6
[M+Na-2H]- 196.004986 135.7
[M]+ 175.02977142 136.3
[M]- 175.03086858 136.3
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

patents stripe