CID 18377669

2-methyl-3-phenoxypropan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(CO)COC1=CC=CC=C1

InChI

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

InChIKey

HOYHKDKMKABFBG-UHFFFAOYSA-N

Compound name

2-methyl-3-phenoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 166.09938 Da
Monoisotopic Mass: 2.0
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	135.9
[M+Na]+	189.08860	147.9
[M+NH4]+	184.13320	144.4
[M+K]+	205.06254	141.7
[M-H]-	165.09210	137.6
[M+Na-2H]-	187.07405	142.6
[M]+	166.09883	138.0
[M]-	166.09993	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe