CID 84215

Refchem:577034

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

CC(=O)C=C(C1=CC=CC=C1)O

InChI

InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-7,12H,1H3

InChIKey

MPRZBJONKJDMJV-UHFFFAOYSA-N

Compound name

4-hydroxy-4-phenylbut-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 420
Patents: 162.06808 Da
Monoisotopic Mass: 2.0
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]+	163.075356	133.6
[M+Na]+	185.057298	140.3
[M-H]-	161.060804	135.9
[M+NH4]+	180.101903	153.5
[M+K]+	201.031238	138.1
[M+H-H2O]+	145.065340	128.3
[M+HCOO]-	207.066281	155.3
[M+CH3COO]-	221.081931	175.0
[M+Na-2H]-	183.042746	138.4
[M]+	162.06753142	132.1
[M]-	162.06862858	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe