CID 11073569

3-(prop-2-yn-1-yloxy)phenol

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

C#CCOC1=CC=CC(=C1)O

InChI

InChI=1S/C9H8O2/c1-2-6-11-9-5-3-4-8(10)7-9/h1,3-5,7,10H,6H2

InChIKey

FTDMYZWKKGITHT-UHFFFAOYSA-N

Compound name

3-prop-2-ynoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 148.05243 Da
Monoisotopic Mass: 1.7
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]+	149.05971	129.4
[M+Na]+	171.04165	142.0
[M+NH4]+	166.08625	134.4
[M+K]+	187.01559	132.9
[M-H]-	147.04515	123.1
[M+Na-2H]-	169.02710	133.5
[M]+	148.05188	128.6
[M]-	148.05298	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe