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]+ 176.037596 135.9
[M+Na]+ 198.019538 143.3
[M-H]- 174.023044 136.9
[M+NH4]+ 193.064143 156.3
[M+K]+ 213.993478 141.7
[M+H-H2O]+ 158.027580 130.6
[M+HCOO]- 220.028521 151.2
[M+CH3COO]- 234.044171 173.2
[M+Na-2H]- 196.004986 135.7
[M]+ 175.02977142 136.2
[M]- 175.03086858 136.2
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

No patent data available for this compound.