CID 477573

Chembl356683

Structural Information

Molecular Formula
C6H8N2O4S
SMILES
C1[C@H](NC(=O)S1)C(=O)NCC(=O)O
InChI
InChI=1S/C6H8N2O4S/c9-4(10)1-7-5(11)3-2-13-6(12)8-3/h3H,1-2H2,(H,7,11)(H,8,12)(H,9,10)/t3-/m0/s1
InChIKey
BQOAMGPCVRIAAP-VKHMYHEASA-N
Compound name
2-[[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

204.02048 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02776 142.2
[M+Na]+ 227.00970 147.8
[M-H]- 203.01320 141.5
[M+NH4]+ 222.05430 159.9
[M+K]+ 242.98364 145.6
[M+H-H2O]+ 187.01774 136.4
[M+HCOO]- 249.01868 156.2
[M+CH3COO]- 263.03433 177.4
[M+Na-2H]- 224.99515 141.2
[M]+ 204.01993 139.7
[M]- 204.02103 139.7
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

No patent data available for this compound.