CID 11019006

1-phenylbut-3-yn-1-ol

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

C#CCC(C1=CC=CC=C1)O

InChI

InChI=1S/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h1,3-5,7-8,10-11H,6H2

InChIKey

WBUZTCYOCCUTDV-UHFFFAOYSA-N

Compound name

1-phenylbut-3-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 146.07317 Da
Monoisotopic Mass: 1.6
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	132.0
[M+Na]+	169.06239	144.3
[M+NH4]+	164.10699	137.2
[M+K]+	185.03633	134.9
[M-H]-	145.06589	125.9
[M+Na-2H]-	167.04784	136.1
[M]+	146.07262	131.2
[M]-	146.07372	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe