CID 12433349

2-methyl-2-phenylcyclobutan-1-one

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

CC1(CCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C11H12O/c1-11(8-7-10(11)12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChIKey

FVQRGEDTAZCSGH-UHFFFAOYSA-N

Compound name

2-methyl-2-phenylcyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 160.08882 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]+	161.096096	129.9
[M+Na]+	183.078038	137.4
[M-H]-	159.081544	137.1
[M+NH4]+	178.122643	146.4
[M+K]+	199.051978	138.0
[M+H-H2O]+	143.086080	120.2
[M+HCOO]-	205.087021	152.7
[M+CH3COO]-	219.102671	180.8
[M+Na-2H]-	181.063486	137.4
[M]+	160.08827142	137.9
[M]-	160.08936858	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe