CID 582962

4-phenyl-3-butyn-2-ol

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

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

InChI

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

InChIKey

JYOZFNMFSVAZAW-UHFFFAOYSA-N

Compound name

4-phenylbut-3-yn-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 108
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	134.0
[M+Na]+	169.06239	143.4
[M-H]-	145.06589	135.0
[M+NH4]+	164.10699	152.5
[M+K]+	185.03633	139.2
[M+H-H2O]+	129.07043	122.9
[M+HCOO]-	191.07137	150.5
[M+CH3COO]-	205.08702	180.7
[M+Na-2H]-	167.04784	138.9
[M]+	146.07262	127.2
[M]-	146.07372	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe