CID 52982905

1247800-80-1

Structural Information

Molecular Formula

C₁₁H₁₃FN₂O

SMILES

C1CN(C(=O)C1N)CC2=CC=C(C=C2)F

InChI

InChI=1S/C11H13FN2O/c12-9-3-1-8(2-4-9)7-14-6-5-10(13)11(14)15/h1-4,10H,5-7,13H2

InChIKey

OUTSOAHIPGLFEW-UHFFFAOYSA-N

Compound name

3-amino-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.1012 Da
Monoisotopic Mass: 0.6
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]+	209.10848	146.4
[M+Na]+	231.09042	156.9
[M+NH4]+	226.13502	153.9
[M+K]+	247.06436	152.5
[M-H]-	207.09392	148.3
[M+Na-2H]-	229.07587	151.8
[M]+	208.10065	148.1
[M]-	208.10175	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe