CID 15623770

22518-24-7

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

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

InChI

InChI=1S/C10H12N2O/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8/h1-4,8H,5-6,11H2,(H,12,13)

InChIKey

KHWGWQQVNONIPZ-UHFFFAOYSA-N

Compound name

4-(4-aminophenyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 176.09496 Da
Monoisotopic Mass: 0.3
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]+	177.10224	137.3
[M+Na]+	199.08418	144.4
[M-H]-	175.08768	141.0
[M+NH4]+	194.12878	156.6
[M+K]+	215.05812	140.5
[M+H-H2O]+	159.09222	130.4
[M+HCOO]-	221.09316	159.0
[M+CH3COO]-	235.10881	178.3
[M+Na-2H]-	197.06963	140.5
[M]+	176.09441	131.3
[M]-	176.09551	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe