CID 22565247

2361644-16-6

Structural Information

Molecular Formula

C₄H₄N₂O₂S

SMILES

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

InChI

InChI=1S/C4H4N2O2S/c5-2-1-9-3(6-2)4(7)8/h1H,5H2,(H,7,8)

InChIKey

DKXICKBJAKGRCR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 143.99934 Da
Monoisotopic Mass: 0.5
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]+	145.006616	125.2
[M+Na]+	166.988558	134.5
[M-H]-	142.992064	126.7
[M+NH4]+	162.033163	146.5
[M+K]+	182.962498	132.4
[M+H-H2O]+	126.996600	119.7
[M+HCOO]-	188.997541	144.0
[M+CH3COO]-	203.013191	169.5
[M+Na-2H]-	164.974006	127.3
[M]+	143.99879142	125.0
[M]-	143.99988858	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe