CID 10375226

1-(1-phenylcyclopentyl)ethan-1-one

Structural Information

Molecular Formula

C₁₃H₁₆O

SMILES

CC(=O)C1(CCCC1)C2=CC=CC=C2

InChI

InChI=1S/C13H16O/c1-11(14)13(9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3

InChIKey

FYZSUFJYONELHJ-UHFFFAOYSA-N

Compound name

1-(1-phenylcyclopentyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 188.12012 Da
Monoisotopic Mass: 3.0
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]+	189.127396	143.6
[M+Na]+	211.109338	149.5
[M-H]-	187.112844	149.9
[M+NH4]+	206.153943	166.5
[M+K]+	227.083278	147.0
[M+H-H2O]+	171.117380	137.7
[M+HCOO]-	233.118321	165.7
[M+CH3COO]-	247.133971	181.3
[M+Na-2H]-	209.094786	147.4
[M]+	188.11957142	140.6
[M]-	188.12066858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe