CID 12757500

1-(1-phenylcyclobutyl)ethanone

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

CC(=O)C1(CCC1)C2=CC=CC=C2

InChI

InChI=1S/C12H14O/c1-10(13)12(8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3

InChIKey

BOTZEZSQGAVDGN-UHFFFAOYSA-N

Compound name

1-(1-phenylcyclobutyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 174.10446 Da
Monoisotopic Mass: 2.4
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	137.4
[M+Na]+	197.09368	145.7
[M+NH4]+	192.13828	144.2
[M+K]+	213.06762	139.0
[M-H]-	173.09718	138.5
[M+Na-2H]-	195.07913	144.6
[M]+	174.10391	137.9
[M]-	174.10501	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe