CID 193602

24474-93-9

Structural Information

Molecular Formula

SMILES

CC1=NCC(=O)O1

InChI

InChI=1S/C4H5NO2/c1-3-5-2-4(6)7-3/h2H2,1H3

InChIKey

WKIXQUMETCNZKK-UHFFFAOYSA-N

Compound name

2-methyl-4H-1,3-oxazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 83
Patents: 99.03203 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]+	100.03931	115.1
[M+Na]+	122.02125	126.8
[M+NH4]+	117.06585	123.5
[M+K]+	137.99519	124.1
[M-H]-	98.024754	116.8
[M+Na-2H]-	120.00670	120.2
[M]+	99.031481	117.1
[M]-	99.032579	117.1

Literature stripe

literature stripe

Patent stripe

patents stripe