CID 9989389

(but-3-yn-1-yloxy)benzene

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

C#CCCOC1=CC=CC=C1

InChI

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

InChIKey

LMJIECGJNREYCB-UHFFFAOYSA-N

Compound name

but-3-ynoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 146.07317 Da
Monoisotopic Mass: 2.7
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]+	147.080446	130.3
[M+Na]+	169.062388	140.3
[M-H]-	145.065894	132.4
[M+NH4]+	164.106993	149.4
[M+K]+	185.036328	136.4
[M+H-H2O]+	129.070430	118.9
[M+HCOO]-	191.071371	149.1
[M+CH3COO]-	205.087021	183.7
[M+Na-2H]-	167.047836	137.1
[M]+	146.07262142	126.0
[M]-	146.07371858	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe