CID 14537426

125210-03-9

Structural Information

Molecular Formula

SMILES

CC1=COC(=O)N1

InChI

InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)

InChIKey

HUTNXAYRNHOZHL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 281
Patents: 99.03203 Da
Monoisotopic Mass: 0.1
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	114.2
[M+Na]+	122.02125	126.2
[M+NH4]+	117.06585	122.2
[M+K]+	137.99519	123.6
[M-H]-	98.024754	115.5
[M+Na-2H]-	120.00670	119.5
[M]+	99.031481	116.0
[M]-	99.032579	116.0

Literature stripe

literature stripe

Patent stripe

patents stripe