CID 10909702

10537-63-0

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

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

InChI

InChI=1S/C10H10O/c1-3-9-4-6-10(7-5-9)8(2)11/h3-7H,1H2,2H3

InChIKey

HDXVSRDSYNPSAE-UHFFFAOYSA-N

Compound name

1-(4-ethenylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 990
Patents: 146.07317 Da
Monoisotopic Mass: 2.5
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]+	147.080446	128.0
[M+Na]+	169.062388	136.3
[M-H]-	145.065894	132.0
[M+NH4]+	164.106993	149.6
[M+K]+	185.036328	134.1
[M+H-H2O]+	129.070430	122.9
[M+HCOO]-	191.071371	152.0
[M+CH3COO]-	205.087021	176.6
[M+Na-2H]-	167.047836	134.0
[M]+	146.07262142	128.1
[M]-	146.07371858	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe