CID 2734969

(r)-4-benzyl-2-oxazolidinone

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1[C@H](NC(=O)O1)CC2=CC=CC=C2

InChI

InChI=1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1

InChIKey

OJOFMLDBXPDXLQ-SECBINFHSA-N

Compound name

(4R)-4-benzyl-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 6071
Patents: 177.07898 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]+	178.086256	136.2
[M+Na]+	200.068198	143.3
[M-H]-	176.071704	140.7
[M+NH4]+	195.112803	154.5
[M+K]+	216.042138	141.4
[M+H-H2O]+	160.076240	129.6
[M+HCOO]-	222.077181	156.8
[M+CH3COO]-	236.092831	174.9
[M+Na-2H]-	198.053646	141.5
[M]+	177.07843142	133.6
[M]-	177.07952858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe