CID 18751415

2-(4-ethynylphenoxy)ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

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

InChI

InChI=1S/C10H10O2/c1-2-9-3-5-10(6-4-9)12-8-7-11/h1,3-6,11H,7-8H2

InChIKey

SQWHBRPAXOERQR-UHFFFAOYSA-N

Compound name

2-(4-ethynylphenoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 162.06808 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]+	163.075356	133.9
[M+Na]+	185.057298	144.2
[M-H]-	161.060804	135.1
[M+NH4]+	180.101903	152.0
[M+K]+	201.031238	140.2
[M+H-H2O]+	145.065340	122.7
[M+HCOO]-	207.066281	151.5
[M+CH3COO]-	221.081931	184.0
[M+Na-2H]-	183.042746	139.5
[M]+	162.06753142	129.5
[M]-	162.06862858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe