CID 735929

(s)-(+)-3-acetyl-4-benzyl-2-oxazolidinone

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

CC(=O)N1[C@H](COC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H13NO3/c1-9(14)13-11(8-16-12(13)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1

InChIKey

YMVGXIZVSPMNPD-NSHDSACASA-N

Compound name

(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 219.08954 Da
Monoisotopic Mass: 1.7
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]+	220.09682	147.0
[M+Na]+	242.07876	154.6
[M-H]-	218.08226	153.1
[M+NH4]+	237.12336	164.5
[M+K]+	258.05270	153.5
[M+H-H2O]+	202.08680	140.1
[M+HCOO]-	264.08774	167.9
[M+CH3COO]-	278.10339	186.2
[M+Na-2H]-	240.06421	149.9
[M]+	219.08899	147.5
[M]-	219.09009	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe