CID 95592

2-phenylcyclohexanone

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

C1CCC(=O)C(C1)C2=CC=CC=C2

InChI

InChI=1S/C12H14O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2

InChIKey

DRLVMOAWNVOSPE-UHFFFAOYSA-N

Compound name

2-phenylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1354
Patents: 174.10446 Da
Monoisotopic Mass: 2.6
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]+	175.111736	136.9
[M+Na]+	197.093678	142.5
[M-H]-	173.097184	143.0
[M+NH4]+	192.138283	156.7
[M+K]+	213.067618	139.7
[M+H-H2O]+	157.101720	130.3
[M+HCOO]-	219.102661	158.1
[M+CH3COO]-	233.118311	179.3
[M+Na-2H]-	195.079126	142.4
[M]+	174.10391142	132.1
[M]-	174.10500858	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe