CID 22263119

Isoxazole-3-carboxamide

Structural Information

Molecular Formula

C₄H₄N₂O₂

SMILES

C1=CON=C1C(=O)N

InChI

InChI=1S/C4H4N2O2/c5-4(7)3-1-2-8-6-3/h1-2H,(H2,5,7)

InChIKey

LKYNGTHMKCTTQC-UHFFFAOYSA-N

Compound name

1,2-oxazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1757
Patents: 112.027275 Da
Monoisotopic Mass: -0.4
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]+	113.03455	118.4
[M+Na]+	135.01649	128.7
[M+NH4]+	130.06110	126.0
[M+K]+	150.99043	127.0
[M-H]-	111.02000	120.0
[M+Na-2H]-	133.00194	123.4
[M]+	112.02673	120.0
[M]-	112.02782	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe