CID 72150

Thiazolidine-2,4-dicarboxylic acid

Structural Information

Molecular Formula
C5H7NO4S
SMILES
C1C(NC(S1)C(=O)O)C(=O)O
InChI
InChI=1S/C5H7NO4S/c7-4(8)2-1-11-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)
InChIKey
DAXBISKSIDBYEU-UHFFFAOYSA-N
Compound name
1,3-thiazolidine-2,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

728
Patents

177.00958 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.016856 135.7
[M+Na]+ 199.998798 142.0
[M-H]- 176.002304 133.9
[M+NH4]+ 195.043403 154.2
[M+K]+ 215.972738 139.9
[M+H-H2O]+ 160.006840 130.8
[M+HCOO]- 222.007781 147.4
[M+CH3COO]- 236.023431 168.4
[M+Na-2H]- 197.984246 134.1
[M]+ 177.00903142 132.6
[M]- 177.01012858 132.6
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

patents stripe