CID 13371190

5-aminoisoxazole-4-carboxamide

Structural Information

Molecular Formula

C₄H₅N₃O₂

SMILES

C1=NOC(=C1C(=O)N)N

InChI

InChI=1S/C4H5N3O2/c5-3(8)2-1-7-9-4(2)6/h1H,6H2,(H2,5,8)

InChIKey

BQEXBKQAUDVIGC-UHFFFAOYSA-N

Compound name

5-amino-1,2-oxazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 127.03818 Da
Monoisotopic Mass: -0.6
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]+	128.04546	122.5
[M+Na]+	150.02740	131.4
[M+NH4]+	145.07200	129.3
[M+K]+	166.00134	130.7
[M-H]-	126.03090	124.2
[M+Na-2H]-	148.01285	126.4
[M]+	127.03763	123.7
[M]-	127.03873	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe