CID 10931730

(s)-3-phenylcyclopentanone

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

C1CC(=O)C[C@H]1C2=CC=CC=C2

InChI

InChI=1S/C11H12O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1

InChIKey

MFBXYJLOYZMFIN-JTQLQIEISA-N

Compound name

(3S)-3-phenylcyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 217
Patents: 160.08882 Da
Monoisotopic Mass: 1.8
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]+	161.096096	133.0
[M+Na]+	183.078038	140.1
[M-H]-	159.081544	139.7
[M+NH4]+	178.122643	155.4
[M+K]+	199.051978	137.5
[M+H-H2O]+	143.086080	127.1
[M+HCOO]-	205.087021	156.8
[M+CH3COO]-	219.102671	175.9
[M+Na-2H]-	181.063486	137.6
[M]+	160.08827142	130.1
[M]-	160.08936858	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe