CID 3077931

Brn 4750454

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

CCOC1CCC(=O)N1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H15NO3/c1-2-17-12-9-8-11(15)14(12)13(16)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3

InChIKey

MEBTVDLEAJRUDF-UHFFFAOYSA-N

Compound name

1-benzoyl-5-ethoxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 233.1052 Da
Monoisotopic Mass: 1.6
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]+	234.11248	151.6
[M+Na]+	256.09442	158.6
[M-H]-	232.09792	156.9
[M+NH4]+	251.13902	169.8
[M+K]+	272.06836	156.3
[M+H-H2O]+	216.10246	144.3
[M+HCOO]-	278.10340	173.0
[M+CH3COO]-	292.11905	189.1
[M+Na-2H]-	254.07987	153.2
[M]+	233.10465	151.8
[M]-	233.10575	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe