CID 15172

4-phenylbut-3-en-2-ol

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

CC(C=CC1=CC=CC=C1)O

InChI

InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3

InChIKey

ZIJWGEHOVHJHKB-UHFFFAOYSA-N

Compound name

4-phenylbut-3-en-2-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 875
Patents: 148.08882 Da
Monoisotopic Mass: 2.1
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]+	149.09610	132.2
[M+Na]+	171.07804	144.8
[M+NH4]+	166.12264	141.0
[M+K]+	187.05198	137.9
[M-H]-	147.08154	134.2
[M+Na-2H]-	169.06349	139.2
[M]+	148.08827	134.5
[M]-	148.08937	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe