CID 10866606

39545-99-8

Structural Information

Molecular Formula

C₁₁H₁₀O

SMILES

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

InChI

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

InChIKey

VHRGUJICHLPTDW-UHFFFAOYSA-N

Compound name

2-phenylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 158.07317 Da
Monoisotopic Mass: 2.2
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]+	159.080446	131.2
[M+Na]+	181.062388	139.3
[M-H]-	157.065894	138.2
[M+NH4]+	176.106993	153.8
[M+K]+	197.036328	136.5
[M+H-H2O]+	141.070430	125.3
[M+HCOO]-	203.071371	156.5
[M+CH3COO]-	217.087021	175.6
[M+Na-2H]-	179.047836	136.8
[M]+	158.07262142	129.7
[M]-	158.07371858	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe