CID 4962814

848658-78-6

Structural Information

Molecular Formula

C₉H₁₀N₂O₃S

SMILES

C1CC(=O)N(C1)C2=NC(=CS2)CC(=O)O

InChI

InChI=1S/C9H10N2O3S/c12-7-2-1-3-11(7)9-10-6(5-15-9)4-8(13)14/h5H,1-4H2,(H,13,14)

InChIKey

ALIZCAWAWGTRCZ-UHFFFAOYSA-N

Compound name

2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 226.04121 Da
Monoisotopic Mass: 0.2
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]+	227.04849	150.2
[M+Na]+	249.03043	158.7
[M+NH4]+	244.07503	156.8
[M+K]+	265.00437	156.4
[M-H]-	225.03393	150.1
[M+Na-2H]-	247.01588	152.8
[M]+	226.04066	151.4
[M]-	226.04176	151.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.