CID 72150

Tidiacic

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
1
Annotation Hits

6
References

159
Patents

177.00958 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.01686 135.7
[M+Na]+ 199.99880 142.0
[M-H]- 176.00230 133.9
[M+NH4]+ 195.04340 154.2
[M+K]+ 215.97274 139.9
[M+H-H2O]+ 160.00684 130.8
[M+HCOO]- 222.00778 147.4
[M+CH3COO]- 236.02343 168.4
[M+Na-2H]- 197.98425 134.1
[M]+ 177.00903 132.6
[M]- 177.01013 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