CID 77422

3810-26-2

Structural Information

Molecular Formula

C₁₁H₁₀O

SMILES

C1CC(=O)C=C1C2=CC=CC=C2

InChI

InChI=1S/C11H10O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2

InChIKey

UHTNKICWCQWOBM-UHFFFAOYSA-N

Compound name

3-phenylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 56
Patents: 158.07317 Da
Monoisotopic Mass: 1.7
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]+	159.08045	133.1
[M+Na]+	181.06239	146.8
[M+NH4]+	176.10699	143.2
[M+K]+	197.03633	140.8
[M-H]-	157.06589	137.6
[M+Na-2H]-	179.04784	142.1
[M]+	158.07262	136.4
[M]-	158.07372	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe