CID 275656

3-(2-oxo-1,3-thiazolidin-3-yl)propanoic acid

Structural Information

Molecular Formula
C6H9NO3S
SMILES
C1CSC(=O)N1CCC(=O)O
InChI
InChI=1S/C6H9NO3S/c8-5(9)1-2-7-3-4-11-6(7)10/h1-4H2,(H,8,9)
InChIKey
XJXGOBWSTJVANH-UHFFFAOYSA-N
Compound name
3-(2-oxo-1,3-thiazolidin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

175.03032 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03760 137.6
[M+Na]+ 198.01954 145.5
[M+NH4]+ 193.06414 144.5
[M+K]+ 213.99348 141.6
[M-H]- 174.02304 136.4
[M+Na-2H]- 196.00499 139.0
[M]+ 175.02977 138.4
[M]- 175.03087 138.4
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

No patent data available for this compound.