CID 104195

3-(o-tolyloxy)-1-propanol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1=CC=CC=C1OCCCO

InChI

InChI=1S/C10H14O2/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-3,5-6,11H,4,7-8H2,1H3

InChIKey

RQROCSGRAXVVFN-UHFFFAOYSA-N

Compound name

3-(2-methylphenoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 49
Patents: 166.09938 Da
Monoisotopic Mass: 2.4
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]+	167.10666	135.1
[M+Na]+	189.08860	147.9
[M+NH4]+	184.13320	143.8
[M+K]+	205.06254	141.1
[M-H]-	165.09210	137.1
[M+Na-2H]-	187.07405	142.0
[M]+	166.09883	137.5
[M]-	166.09993	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe