CID 250464

1-phenylbut-3-en-2-ol

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

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

InChI

InChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7,10-11H,1,8H2

InChIKey

UABPTAJNCGKQHF-UHFFFAOYSA-N

Compound name

1-phenylbut-3-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
Patents: 148.08882 Da
Monoisotopic Mass: 2.2
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	132.0
[M+Na]+	171.07804	144.6
[M+NH4]+	166.12264	140.9
[M+K]+	187.05198	137.7
[M-H]-	147.08154	134.0
[M+Na-2H]-	169.06349	139.1
[M]+	148.08827	134.3
[M]-	148.08937	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe