CID 3046888

62825-79-0

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CN1CC(OC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C11H13NO2/c1-12-8-10(14-11(12)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3

InChIKey

UZJQTLVIRDTJTM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.09464 Da
Monoisotopic Mass: 1.9
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]+	192.101916	140.0
[M+Na]+	214.083858	148.0
[M-H]-	190.087364	146.1
[M+NH4]+	209.128463	158.8
[M+K]+	230.057798	146.8
[M+H-H2O]+	174.091900	133.2
[M+HCOO]-	236.092841	161.8
[M+CH3COO]-	250.108491	181.7
[M+Na-2H]-	212.069306	144.6
[M]+	191.09409142	140.0
[M]-	191.09518858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe