CID 75633

3-(2-chloroethyl)oxazolidin-2-one

Structural Information

Molecular Formula

C₅H₈ClNO₂

SMILES

C1COC(=O)N1CCCl

InChI

InChI=1S/C5H8ClNO2/c6-1-2-7-3-4-9-5(7)8/h1-4H2

InChIKey

CDYDZTYVCIPLHY-UHFFFAOYSA-N

Compound name

3-(2-chloroethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 110
Patents: 149.02435 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]+	150.03163	127.3
[M+Na]+	172.01357	136.1
[M-H]-	148.01707	129.8
[M+NH4]+	167.05817	148.5
[M+K]+	187.98751	135.1
[M+H-H2O]+	132.02161	122.3
[M+HCOO]-	194.02255	144.6
[M+CH3COO]-	208.03820	170.8
[M+Na-2H]-	169.99902	132.9
[M]+	149.02380	128.8
[M]-	149.02490	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe