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 131.6
[M+Na]+ 202.01444 141.1
[M-H]- 178.01794 133.3
[M+NH4]+ 197.05904 154.0
[M+K]+ 217.98838 139.9
[M+H-H2O]+ 162.02248 127.9
[M+HCOO]- 224.02342 147.5
[M+CH3COO]- 238.03907 172.4
[M+Na-2H]- 199.99989 133.2
[M]+ 179.02467 133.1
[M]- 179.02577 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.