CID 14470518

5864-79-9

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

C1CC(=O)C(=C1O)C2=CC=CC=C2

InChI

InChI=1S/C11H10O2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-5,12H,6-7H2

InChIKey

YSNOZOOLCMJCQW-UHFFFAOYSA-N

Compound name

3-hydroxy-2-phenylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 174.06808 Da
Monoisotopic Mass: 1.5
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]+	175.07536	134.5
[M+Na]+	197.05730	143.1
[M-H]-	173.06080	140.5
[M+NH4]+	192.10190	156.0
[M+K]+	213.03124	139.9
[M+H-H2O]+	157.06534	129.0
[M+HCOO]-	219.06628	158.5
[M+CH3COO]-	233.08193	176.1
[M+Na-2H]-	195.04275	139.0
[M]+	174.06753	133.0
[M]-	174.06863	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe