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

490
Patents

131.0041 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.011376 122.2
[M+Na]+ 153.993318 132.3
[M-H]- 129.996824 125.3
[M+NH4]+ 149.037923 145.6
[M+K]+ 169.967258 131.2
[M+H-H2O]+ 114.001360 117.4
[M+HCOO]- 176.002301 140.5
[M+CH3COO]- 190.017951 168.1
[M+Na-2H]- 151.978766 123.8
[M]+ 131.00355142 123.2
[M]- 131.00464858 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