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

8
Patents

175.03032 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03760 134.5
[M+Na]+ 198.01954 143.2
[M-H]- 174.02304 136.4
[M+NH4]+ 193.06414 154.1
[M+K]+ 213.99348 142.0
[M+H-H2O]+ 158.02758 129.5
[M+HCOO]- 220.02852 150.1
[M+CH3COO]- 234.04417 173.6
[M+Na-2H]- 196.00499 135.7
[M]+ 175.02977 136.3
[M]- 175.03087 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