CID 246219

822-63-9

Structural Information

Molecular Formula

C₃H₄N₂O₂

SMILES

C1=C(ONC1=O)N

InChI

InChI=1S/C3H4N2O2/c4-2-1-3(6)5-7-2/h1H,4H2,(H,5,6)

InChIKey

SBAQXOKGHJGIGF-UHFFFAOYSA-N

Compound name

5-amino-1,2-oxazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 100.027275 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]+	101.03455	114.1
[M+Na]+	123.01649	124.6
[M+NH4]+	118.06110	121.5
[M+K]+	138.99043	122.9
[M-H]-	99.019999	115.4
[M+Na-2H]-	121.00194	118.8
[M]+	100.02673	115.6
[M]-	100.02782	115.6

Literature stripe

literature stripe

Patent stripe

patents stripe