CID 12384822

4317-62-8

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1=CC(=CC=C1)OCC(C)O

InChI

InChI=1S/C10H14O2/c1-8-4-3-5-10(6-8)12-7-9(2)11/h3-6,9,11H,7H2,1-2H3

InChIKey

DKTVQFUMIUPSGI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 166.09938 Da
Monoisotopic Mass: 1.9
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	135.3
[M+Na]+	189.08860	147.7
[M+NH4]+	184.13320	143.8
[M+K]+	205.06254	141.7
[M-H]-	165.09210	137.1
[M+Na-2H]-	187.07405	141.8
[M]+	166.09883	137.5
[M]-	166.09993	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe