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

43
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 131.0
[M+Na]+ 183.01987 139.6
[M-H]- 159.02337 133.1
[M+NH4]+ 178.06447 152.4
[M+K]+ 198.99381 137.6
[M+H-H2O]+ 143.02791 125.3
[M+HCOO]- 205.02885 149.2
[M+CH3COO]- 219.04450 175.3
[M+Na-2H]- 181.00532 131.5
[M]+ 160.03010 130.5
[M]- 160.03120 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.