CID 251960

2-[2-(2-hydroxyethyl)phenyl]ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1=CC=C(C(=C1)CCO)CCO

InChI

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

InChIKey

IHAYMIVQKCTBBS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1159
Patents: 166.09938 Da
Monoisotopic Mass: 1.3
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	135.7
[M+Na]+	189.08860	142.7
[M-H]-	165.09210	136.6
[M+NH4]+	184.13320	155.1
[M+K]+	205.06254	139.8
[M+H-H2O]+	149.09664	130.4
[M+HCOO]-	211.09758	157.4
[M+CH3COO]-	225.11323	174.2
[M+Na-2H]-	187.07405	141.7
[M]+	166.09883	135.5
[M]-	166.09993	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe