CID 287921

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

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

C#CCOC1=CC=CC=C1O

InChI

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

InChIKey

XSFWCIBEJZADAF-UHFFFAOYSA-N

Compound name

2-prop-2-ynoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 75
Patents: 148.05243 Da
Monoisotopic Mass: 1.4
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	129.9
[M+Na]+	171.04165	140.5
[M-H]-	147.04515	131.2
[M+NH4]+	166.08625	148.4
[M+K]+	187.01559	136.8
[M+H-H2O]+	131.04969	118.9
[M+HCOO]-	193.05063	147.8
[M+CH3COO]-	207.06628	181.3
[M+Na-2H]-	169.02710	136.0
[M]+	148.05188	125.2
[M]-	148.05298	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe