CID 315243

2-aminothiazole-5-carboxylic acid

Structural Information

Molecular Formula

C₄H₄N₂O₂S

SMILES

C1=C(SC(=N1)N)C(=O)O

InChI

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

InChIKey

ZFMRDDYYJJCBKC-UHFFFAOYSA-N

Compound name

2-amino-1,3-thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 223
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]+	145.00662	126.5
[M+Na]+	166.98856	135.5
[M+NH4]+	162.03316	134.0
[M+K]+	182.96250	131.9
[M-H]-	142.99206	126.5
[M+Na-2H]-	164.97401	130.1
[M]+	143.99879	127.8
[M]-	143.99989	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe