CID 136837

1072-70-4

Structural Information

Molecular Formula

SMILES

CC1CNC(=O)O1

InChI

InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)

InChIKey

HBRXQSHUXIJOKV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 760
Patents: 101.047676 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]+	102.054952	116.5
[M+Na]+	124.036894	124.7
[M-H]-	100.040400	118.1
[M+NH4]+	119.081499	138.2
[M+K]+	140.010834	125.1
[M+H-H2O]+	84.044936	111.6
[M+HCOO]-	146.045877	137.4
[M+CH3COO]-	160.061527	161.2
[M+Na-2H]-	122.022342	122.8
[M]+	101.04712742	114.2
[M]-	101.04822458	114.2

Literature stripe

literature stripe

Patent stripe

patents stripe