CID 25201688

2-(sulfomethyl)thiazolidine-4-carboxylate

Structural Information

Molecular Formula
C5H9NO5S2
SMILES
C1[C@H](NC(S1)CS(=O)(=O)O)C(=O)O
InChI
InChI=1S/C5H9NO5S2/c7-5(8)3-1-12-4(6-3)2-13(9,10)11/h3-4,6H,1-2H2,(H,7,8)(H,9,10,11)/t3-,4?/m0/s1
InChIKey
HYGZRLVEUKTESI-WUCPZUCCSA-N
Compound name
(4R)-2-(sulfomethyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

226.99222 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.99950 146.4
[M+Na]+ 249.98144 153.0
[M-H]- 225.98494 144.1
[M+NH4]+ 245.02604 162.9
[M+K]+ 265.95538 149.1
[M+H-H2O]+ 209.98948 142.0
[M+HCOO]- 271.99042 152.4
[M+CH3COO]- 286.00607 174.4
[M+Na-2H]- 247.96689 145.5
[M]+ 226.99167 145.1
[M]- 226.99277 145.1
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.