CID 5147257

(4-oxo-thiazolidin-3-yl)-acetic acid

Structural Information

Molecular Formula
C5H7NO3S
SMILES
C1C(=O)N(CS1)CC(=O)O
InChI
InChI=1S/C5H7NO3S/c7-4-2-10-3-6(4)1-5(8)9/h1-3H2,(H,8,9)
InChIKey
HZPPUQAAZNDUAL-UHFFFAOYSA-N
Compound name
2-(4-oxo-1,3-thiazolidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

161.01466 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.02194 133.4
[M+Na]+ 184.00388 141.5
[M+NH4]+ 179.04848 140.5
[M+K]+ 199.97782 137.8
[M-H]- 160.00738 132.2
[M+Na-2H]- 181.98933 135.0
[M]+ 161.01411 134.2
[M]- 161.01521 134.2
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

patents stripe