CID 39237

42607-21-6

Structural Information

Molecular Formula

C₁₀H₁₁NO₂S

SMILES

C1C(NC(S1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C10H11NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8-9,11H,6H2,(H,12,13)

InChIKey

AZDYQBFYMBALBY-UHFFFAOYSA-N

Compound name

2-phenyl-1,3-thiazolidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 213
Patents: 209.05106 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	210.05834	144.7
[M+Na]+	232.04028	151.4
[M-H]-	208.04378	147.4
[M+NH4]+	227.08488	162.9
[M+K]+	248.01422	147.3
[M+H-H2O]+	192.04832	138.6
[M+HCOO]-	254.04926	158.6
[M+CH3COO]-	268.06491	177.1
[M+Na-2H]-	230.02573	144.6
[M]+	209.05051	141.5
[M]-	209.05161	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe