CID 5437

2,4-thiazolidinedione

Structural Information

Molecular Formula
C3H3NO2S
SMILES
C1C(=O)NC(=O)S1
InChI
InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
InChIKey
ZOBPZXTWZATXDG-UHFFFAOYSA-N
Compound name
1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

757
References

69480
Patents

116.98845 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.99573 119.3
[M+Na]+ 139.97767 128.5
[M-H]- 115.98117 120.7
[M+NH4]+ 135.02227 142.1
[M+K]+ 155.95161 126.7
[M+H-H2O]+ 99.985710 114.5
[M+HCOO]- 161.98665 136.4
[M+CH3COO]- 176.00230 161.3
[M+Na-2H]- 137.96312 121.5
[M]+ 116.98790 117.7
[M]- 116.98900 117.7
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