CID 121397

1198-97-6

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1C(CNC1=O)C2=CC=CC=C2

InChI

InChI=1S/C10H11NO/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)

InChIKey

HOJZEMQCQRPLQQ-UHFFFAOYSA-N

Compound name

4-phenylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 526
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]+	162.09134	133.4
[M+Na]+	184.07328	140.5
[M-H]-	160.07678	137.3
[M+NH4]+	179.11788	153.7
[M+K]+	200.04722	137.1
[M+H-H2O]+	144.08132	126.8
[M+HCOO]-	206.08226	154.7
[M+CH3COO]-	220.09791	172.9
[M+Na-2H]-	182.05873	137.9
[M]+	161.08351	128.8
[M]-	161.08461	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe