CID 10679209

328533-94-4

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

CC(=O)N1CCCC1C2=CC=CC=C2

InChI

InChI=1S/C12H15NO/c1-10(14)13-9-5-8-12(13)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3

InChIKey

AVHWYRCZWXRXHS-UHFFFAOYSA-N

Compound name

1-(2-phenylpyrrolidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 189.11537 Da
Monoisotopic Mass: 1.7
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]+	190.12265	142.6
[M+Na]+	212.10459	149.0
[M-H]-	188.10809	147.7
[M+NH4]+	207.14919	162.5
[M+K]+	228.07853	146.5
[M+H-H2O]+	172.11263	135.4
[M+HCOO]-	234.11357	163.7
[M+CH3COO]-	248.12922	181.7
[M+Na-2H]-	210.09004	145.2
[M]+	189.11482	139.8
[M]-	189.11592	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe