CID 3020041

84682-22-4

Structural Information

Molecular Formula

C₉H₁₀N₂O₂S

SMILES

C1C(NC(S1)C2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-3-1-2-4-10-6/h1-4,7-8,11H,5H2,(H,12,13)

InChIKey

FRABGDHEKOTVGC-UHFFFAOYSA-N

Compound name

2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 210.0463 Da
Monoisotopic Mass: -1.8
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]+	211.053576	144.0
[M+Na]+	233.035518	151.2
[M-H]-	209.039024	145.6
[M+NH4]+	228.080123	160.9
[M+K]+	249.009458	147.3
[M+H-H2O]+	193.043560	137.3
[M+HCOO]-	255.044501	157.1
[M+CH3COO]-	269.060151	155.3
[M+Na-2H]-	231.020966	144.3
[M]+	210.04575142	141.1
[M]-	210.04684858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe