CID 5013205

1,4-benzenediethanol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1=CC(=CC=C1CCO)CCO

InChI

InChI=1S/C10H14O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4,11-12H,5-8H2

InChIKey

LBZZJNPUANNABV-UHFFFAOYSA-N

Compound name

2-[4-(2-hydroxyethyl)phenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2906
Patents: 166.09938 Da
Monoisotopic Mass: 1.1
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]+	167.10666	135.6
[M+Na]+	189.08860	147.8
[M+NH4]+	184.13320	143.9
[M+K]+	205.06254	141.3
[M-H]-	165.09210	137.1
[M+Na-2H]-	187.07405	141.9
[M]+	166.09883	137.7
[M]-	166.09993	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe