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 135.9
[M+Na]+ 198.01954 143.3
[M-H]- 174.02304 136.9
[M+NH4]+ 193.06414 156.3
[M+K]+ 213.99348 141.7
[M+H-H2O]+ 158.02758 130.6
[M+HCOO]- 220.02852 151.2
[M+CH3COO]- 234.04417 173.2
[M+Na-2H]- 196.00499 135.7
[M]+ 175.02977 136.2
[M]- 175.03087 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.