CID 231934

Crotonophenone

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

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

InChI

InChI=1S/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8H,1H3/b6-2+

InChIKey

FUJZJBCWPIOHHN-QHHAFSJGSA-N

Compound name

(E)-1-phenylbut-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 712
Patents: 146.07317 Da
Monoisotopic Mass: 1.8
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]+	147.08045	130.9
[M+Na]+	169.06239	144.1
[M+NH4]+	164.10699	139.8
[M+K]+	185.03633	136.8
[M-H]-	145.06589	133.2
[M+Na-2H]-	167.04784	138.5
[M]+	146.07262	133.4
[M]-	146.07372	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe