CID 910270

Pyrrolidine, 1-(phenoxyacetyl)-

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

C1CCN(C1)C(=O)COC2=CC=CC=C2

InChI

InChI=1S/C12H15NO2/c14-12(13-8-4-5-9-13)10-15-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2

InChIKey

FYNNGWZCHCSIQA-UHFFFAOYSA-N

Compound name

2-phenoxy-1-pyrrolidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 11
Patents: 205.11028 Da
Monoisotopic Mass: 1.5
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]+	206.11756	147.3
[M+Na]+	228.09950	158.3
[M+NH4]+	223.14410	155.5
[M+K]+	244.07344	153.7
[M-H]-	204.10300	149.8
[M+Na-2H]-	226.08495	153.9
[M]+	205.10973	149.3
[M]-	205.11083	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe