CID 94585

2-methoxy-5-propylphenol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CCCC1=CC(=C(C=C1)OC)O

InChI

InChI=1S/C10H14O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h5-7,11H,3-4H2,1-2H3

InChIKey

TZUORCZPIKYDQG-UHFFFAOYSA-N

Compound name

2-methoxy-5-propylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 252
Patents: 166.09938 Da
Monoisotopic Mass: 2.2
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	134.7
[M+Na]+	189.08860	147.8
[M+NH4]+	184.13320	143.3
[M+K]+	205.06254	141.2
[M-H]-	165.09210	136.7
[M+Na-2H]-	187.07405	141.4
[M]+	166.09883	137.1
[M]-	166.09993	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe