CID 840113

50602-38-5

Structural Information

Molecular Formula

C₆H₆N₂O₃S

SMILES

CC(=O)NC1=NC(=CS1)C(=O)O

InChI

InChI=1S/C6H6N2O3S/c1-3(9)7-6-8-4(2-12-6)5(10)11/h2H,1H3,(H,10,11)(H,7,8,9)

InChIKey

ZKINQVZUSLLCJY-UHFFFAOYSA-N

Compound name

2-acetamido-1,3-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 100
Patents: 186.00992 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]+	187.01720	138.5
[M+Na]+	208.99914	146.5
[M+NH4]+	204.04374	144.8
[M+K]+	224.97308	143.5
[M-H]-	185.00264	137.6
[M+Na-2H]-	206.98459	141.1
[M]+	186.00937	139.3
[M]-	186.01047	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe