CID 8486

2-amino-5-nitrothiazole

Structural Information

Molecular Formula

C₃H₃N₃O₂S

SMILES

C1=C(SC(=N1)N)[N+](=O)[O-]

InChI

InChI=1S/C3H3N3O2S/c4-3-5-1-2(9-3)6(7)8/h1H,(H2,4,5)

InChIKey

MIHADVKEHAFNPG-UHFFFAOYSA-N

Compound name

5-nitro-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 34
References: 994
Patents: 144.9946 Da
Monoisotopic Mass: 0.8
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]+	146.00188	121.6
[M+Na]+	167.98382	132.2
[M+NH4]+	163.02842	130.0
[M+K]+	183.95776	130.4
[M-H]-	143.98732	124.1
[M+Na-2H]-	165.96927	126.5
[M]+	144.99405	123.9
[M]-	144.99515	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe