CID 273661

3-phenylcyclohexanone

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

C1CC(CC(=O)C1)C2=CC=CC=C2

InChI

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

InChIKey

CJAUDSQXFVZPTO-UHFFFAOYSA-N

Compound name

3-phenylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 361
Patents: 174.10446 Da
Monoisotopic Mass: 2.3
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