CID 22318809

158178-93-9

Structural Information

Molecular Formula

C₄H₄N₂O₂

SMILES

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

InChI

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

InChIKey

MXNFUCNDPLBTMF-UHFFFAOYSA-N

Compound name

1,3-oxazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 742
Patents: 112.027275 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]+	113.034551	117.4
[M+Na]+	135.016493	125.9
[M-H]-	111.019999	120.3
[M+NH4]+	130.061098	138.5
[M+K]+	150.990433	126.7
[M+H-H2O]+	95.024535	111.4
[M+HCOO]-	157.025476	142.1
[M+CH3COO]-	171.041126	166.9
[M+Na-2H]-	133.001941	124.8
[M]+	112.02672642	117.0
[M]-	112.02782358	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe