CID 15885787

1072-48-6

Structural Information

Molecular Formula

SMILES

C1C=NOC1=O

InChI

InChI=1S/C3H3NO2/c5-3-1-2-4-6-3/h2H,1H2

InChIKey

QBWUTXXJFOIVME-UHFFFAOYSA-N

Compound name

4H-1,2-oxazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 494
Patents: 85.01638 Da
Monoisotopic Mass: -0.2
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]+	86.023656	111.1
[M+Na]+	108.00560	122.6
[M+NH4]+	103.05020	119.6
[M+K]+	123.97954	119.9
[M-H]-	84.009104	112.8
[M+Na-2H]-	105.99105	116.7
[M]+	85.015831	113.0
[M]-	85.016929	113.0

Literature stripe

literature stripe

Patent stripe

patents stripe