CID 238964

33176-41-9

Structural Information

Molecular Formula

C₅H₆N₂O₃S

SMILES

C(C1C(=O)N=C(S1)N)C(=O)O

InChI

InChI=1S/C5H6N2O3S/c6-5-7-4(10)2(11-5)1-3(8)9/h2H,1H2,(H,8,9)(H2,6,7,10)

InChIKey

IFUXBSJTQXUMSX-UHFFFAOYSA-N

Compound name

2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 174.00992 Da
Monoisotopic Mass: -0.7
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]+	175.01720	135.3
[M+Na]+	196.99914	143.0
[M+NH4]+	192.04374	141.7
[M+K]+	212.97308	140.0
[M-H]-	173.00264	134.3
[M+Na-2H]-	194.98459	136.9
[M]+	174.00937	136.0
[M]-	174.01047	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe