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: 7
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]+	209.108476	143.9
[M+Na]+	231.090418	151.9
[M-H]-	207.093924	147.7
[M+NH4]+	226.135023	162.9
[M+K]+	247.064358	148.2
[M+H-H2O]+	191.098460	135.9
[M+HCOO]-	253.099401	165.7
[M+CH3COO]-	267.115051	187.7
[M+Na-2H]-	229.075866	145.7
[M]+	208.10065142	139.4
[M]-	208.10174858	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe