CID 3077930

Brn 4747637

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

COC1CCC(=O)N1C(=O)C2=CC=CC=C2

InChI

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

InChIKey

ZCHBAECBIORSSH-UHFFFAOYSA-N

Compound name

1-benzoyl-5-methoxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 219.08954 Da
Monoisotopic Mass: 1.2
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	154.3
[M-H]-	218.08226	152.4
[M+NH4]+	237.12336	165.7
[M+K]+	258.05270	152.4
[M+H-H2O]+	202.08680	139.8
[M+HCOO]-	264.08774	168.7
[M+CH3COO]-	278.10339	186.1
[M+Na-2H]-	240.06421	149.1
[M]+	219.08899	146.8
[M]-	219.09009	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe