CID 121582537

1909319-87-4

Structural Information

Molecular Formula
C5H9NO4S
SMILES
CN1CCC(S1(=O)=O)C(=O)O
InChI
InChI=1S/C5H9NO4S/c1-6-3-2-4(5(7)8)11(6,9)10/h4H,2-3H2,1H3,(H,7,8)
InChIKey
FHUFIMQTQRKPRH-UHFFFAOYSA-N
Compound name
2-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02522 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03250 136.8
[M+Na]+ 202.01444 144.9
[M+NH4]+ 197.05904 144.4
[M+K]+ 217.98838 140.1
[M-H]- 178.01794 134.7
[M+Na-2H]- 199.99989 139.4
[M]+ 179.02467 137.5
[M]- 179.02577 137.5
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.