CID 29831

3-methyl-2-oxazolidone

Structural Information

Molecular Formula

SMILES

CN1CCOC1=O

InChI

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

InChIKey

VWIIJDNADIEEDB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 19008
Patents: 101.047676 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]+	102.054952	115.4
[M+Na]+	124.036894	124.0
[M-H]-	100.040400	118.4
[M+NH4]+	119.081499	137.8
[M+K]+	140.010834	125.4
[M+H-H2O]+	84.044936	110.3
[M+HCOO]-	146.045877	137.8
[M+CH3COO]-	160.061527	163.8
[M+Na-2H]-	122.022342	122.3
[M]+	101.04712742	115.0
[M]-	101.04822458	115.0

Literature stripe

literature stripe

Patent stripe

patents stripe