CID 38674

3-isoxazolidinone, 2-methyl-

Structural Information

Molecular Formula

SMILES

CN1C(=O)CCO1

InChI

InChI=1S/C4H7NO2/c1-5-4(6)2-3-7-5/h2-3H2,1H3

InChIKey

DGVORXWMCNREFA-UHFFFAOYSA-N

Compound name

2-methyl-1,2-oxazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 90
Patents: 101.047676 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]+	102.05495	115.4
[M+Na]+	124.03689	124.0
[M-H]-	100.04040	118.4
[M+NH4]+	119.08150	137.8
[M+K]+	140.01083	125.4
[M+H-H2O]+	84.044936	110.3
[M+HCOO]-	146.04588	137.8
[M+CH3COO]-	160.06153	163.8
[M+Na-2H]-	122.02234	122.3
[M]+	101.04713	115.0
[M]-	101.04822	115.0

Literature stripe

literature stripe

Patent stripe

patents stripe