CID 12783320

4-thiazoleacetic acid, 2-amino-alpha-oxo-

Structural Information

Molecular Formula

C₅H₄N₂O₃S

SMILES

C1=C(N=C(S1)N)C(=O)C(=O)O

InChI

InChI=1S/C5H4N2O3S/c6-5-7-2(1-11-5)3(8)4(9)10/h1H,(H2,6,7)(H,9,10)

InChIKey

VMASTYPGLHRVNL-UHFFFAOYSA-N

Compound name

2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 270
Patents: 171.99426 Da
Monoisotopic Mass: 0.3
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]+	173.00154	132.5
[M+Na]+	194.98348	141.0
[M-H]-	170.98698	133.8
[M+NH4]+	190.02808	152.3
[M+K]+	210.95742	139.1
[M+H-H2O]+	154.99152	126.7
[M+HCOO]-	216.99246	150.2
[M+CH3COO]-	231.00811	174.7
[M+Na-2H]-	192.96893	133.0
[M]+	171.99371	132.7
[M]-	171.99481	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe