CID 209167

3-(2-aminoethyl)-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C5H8N2O2S
SMILES
C1C(=O)N(C(=O)S1)CCN
InChI
InChI=1S/C5H8N2O2S/c6-1-2-7-4(8)3-10-5(7)9/h1-3,6H2
InChIKey
PSJIYWXYXJTRRY-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

38
Patents

160.03065 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.03793 133.2
[M+Na]+ 183.01987 141.5
[M+NH4]+ 178.06447 140.7
[M+K]+ 198.99381 137.0
[M-H]- 159.02337 133.3
[M+Na-2H]- 181.00532 135.3
[M]+ 160.03010 134.4
[M]- 160.03120 134.4
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