CID 3077957

Brn 1456320

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

COC1CCC(=O)N1CC2=CC=CC=C2

InChI

InChI=1S/C12H15NO2/c1-15-12-8-7-11(14)13(12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3

InChIKey

FYVWVPSQGZGVII-UHFFFAOYSA-N

Compound name

1-benzyl-5-methoxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.11028 Da
Monoisotopic Mass: 1.3
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]+	206.11756	144.8
[M+Na]+	228.09950	152.2
[M-H]-	204.10300	150.0
[M+NH4]+	223.14410	164.2
[M+K]+	244.07344	149.8
[M+H-H2O]+	188.10754	137.5
[M+HCOO]-	250.10848	167.1
[M+CH3COO]-	264.12413	184.7
[M+Na-2H]-	226.08495	148.0
[M]+	205.10973	144.5
[M]-	205.11083	144.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.