CID 543097

2-oxazolidinone, 3-ethenyl-5-methyl-

Structural Information

Molecular Formula

SMILES

CC1CN(C(=O)O1)C=C

InChI

InChI=1S/C6H9NO2/c1-3-7-4-5(2)9-6(7)8/h3,5H,1,4H2,2H3

InChIKey

HXFNRRNDWNSKFM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 643
Patents: 127.06333 Da
Monoisotopic Mass: 0.8
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]+	128.070606	122.9
[M+Na]+	150.052548	131.9
[M-H]-	126.056054	126.0
[M+NH4]+	145.097153	144.5
[M+K]+	166.026488	132.1
[M+H-H2O]+	110.060590	117.8
[M+HCOO]-	172.061531	144.8
[M+CH3COO]-	186.077181	170.2
[M+Na-2H]-	148.037996	128.0
[M]+	127.06278142	122.9
[M]-	127.06387858	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe