CID 327595

72678-82-1

Structural Information

Molecular Formula

C₁₀H₁₁NO₃S

SMILES

C1C(NC(S1)C2=CC=CC=C2O)C(=O)O

InChI

InChI=1S/C10H11NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,9,11-12H,5H2,(H,13,14)

InChIKey

APAUAYLVDHNFBF-UHFFFAOYSA-N

Compound name

2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 225.04596 Da
Monoisotopic Mass: -1.2
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]+	226.05324	147.9
[M+Na]+	248.03518	157.3
[M+NH4]+	243.07978	155.1
[M+K]+	264.00912	153.1
[M-H]-	224.03868	148.7
[M+Na-2H]-	246.02063	151.6
[M]+	225.04541	149.6
[M]-	225.04651	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe