CID 1282062

16312-21-3

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

411
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 122.2
[M+Na]+ 153.99332 132.3
[M-H]- 129.99682 125.3
[M+NH4]+ 149.03792 145.6
[M+K]+ 169.96726 131.2
[M+H-H2O]+ 114.00136 117.4
[M+HCOO]- 176.00230 140.5
[M+CH3COO]- 190.01795 168.1
[M+Na-2H]- 151.97877 123.8
[M]+ 131.00355 123.2
[M]- 131.00465 123.2
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

patents stripe