CID 1282062

3-methylthiazolidine-2,4-dione

Structural Information

Molecular Formula
C4H5NO2S
SMILES
CN1C(=O)CSC1=O
InChI
InChI=1S/C4H5NO2S/c1-5-3(6)2-8-4(5)7/h2H2,1H3
InChIKey
HMLWNNMYODLLJO-UHFFFAOYSA-N
Compound name
3-methyl-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

131.0041 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.01138 125.9
[M+Na]+ 153.99332 136.0
[M+NH4]+ 149.03792 134.2
[M+K]+ 169.96726 131.0
[M-H]- 129.99682 126.0
[M+Na-2H]- 151.97877 128.8
[M]+ 131.00355 127.5
[M]- 131.00465 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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