CID 12561030

Schembl1832901

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

COC(CCO)C1=CC=CC=C1

InChI

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

InChIKey

JEZYKPSREKPMLJ-UHFFFAOYSA-N

Compound name

3-methoxy-3-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
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	135.9
[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

literature stripe

Patent stripe

patents stripe