CID 78605

4-phenylcyclohexanone

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

C1CC(=O)CCC1C2=CC=CC=C2

InChI

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

InChIKey

YKAYMASDSHFOGI-UHFFFAOYSA-N

Compound name

4-phenylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1555
Patents: 174.10446 Da
Monoisotopic Mass: 2.1
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]+	175.11174	138.6
[M+Na]+	197.09368	152.3
[M+NH4]+	192.13828	148.7
[M+K]+	213.06762	144.2
[M-H]-	173.09718	143.7
[M+Na-2H]-	195.07913	147.5
[M]+	174.10391	142.0
[M]-	174.10501	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe