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]+ 180.032496 131.6
[M+Na]+ 202.014438 141.1
[M-H]- 178.017944 133.3
[M+NH4]+ 197.059043 154.0
[M+K]+ 217.988378 139.9
[M+H-H2O]+ 162.022480 127.9
[M+HCOO]- 224.023421 147.5
[M+CH3COO]- 238.039071 172.4
[M+Na-2H]- 199.999886 133.2
[M]+ 179.02467142 133.1
[M]- 179.02576858 133.1
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.