CID 2829719

2-aminothiazole-5-sulfonic acid

Structural Information

Molecular Formula

C₃H₄N₂O₃S₂

SMILES

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

InChI

InChI=1S/C3H4N2O3S2/c4-3-5-1-2(9-3)10(6,7)8/h1H,(H2,4,5)(H,6,7,8)

InChIKey

KZGZZBIRYZCFHV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 179.96634 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]+	180.97362	132.8
[M+Na]+	202.95556	143.1
[M-H]-	178.95906	134.0
[M+NH4]+	198.00016	152.7
[M+K]+	218.92950	139.3
[M+H-H2O]+	162.96360	127.8
[M+HCOO]-	224.96454	145.9
[M+CH3COO]-	238.98019	172.5
[M+Na-2H]-	200.94101	135.0
[M]+	179.96579	133.8
[M]-	179.96689	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe