CID 97839

N-(2-oxotetrahydrofuran-3-yl)benzamide

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

C1COC(=O)C1NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H11NO3/c13-10(8-4-2-1-3-5-8)12-9-6-7-15-11(9)14/h1-5,9H,6-7H2,(H,12,13)

InChIKey

HUNZJKFFMPFZTC-UHFFFAOYSA-N

Compound name

N-(2-oxooxolan-3-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 14
Patents: 205.0739 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]+	206.08118	144.5
[M+Na]+	228.06312	154.9
[M+NH4]+	223.10772	152.2
[M+K]+	244.03706	151.7
[M-H]-	204.06662	148.7
[M+Na-2H]-	226.04857	150.2
[M]+	205.07335	146.8
[M]-	205.07445	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe