CID 82415431

2-phenylpyrrolidin-3-one hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1CNC(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C10H11NO/c12-9-6-7-11-10(9)8-4-2-1-3-5-8/h1-5,10-11H,6-7H2

InChIKey

AUKCFBQZMJEFNW-UHFFFAOYSA-N

Compound name

2-phenylpyrrolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 161.08406 Da
Monoisotopic Mass: 1.0
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]+	162.091336	133.4
[M+Na]+	184.073278	140.5
[M-H]-	160.076784	137.3
[M+NH4]+	179.117883	153.7
[M+K]+	200.047218	137.1
[M+H-H2O]+	144.081320	126.8
[M+HCOO]-	206.082261	154.7
[M+CH3COO]-	220.097911	172.9
[M+Na-2H]-	182.058726	137.9
[M]+	161.08351142	128.8
[M]-	161.08460858	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe