CID 29353

18979-53-8

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CCCCCOC1=CC=C(C=C1)O

InChI

InChI=1S/C11H16O2/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8,12H,2-4,9H2,1H3

InChIKey

JCLFHZLOKITRCE-UHFFFAOYSA-N

Compound name

4-pentoxyphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 6468
Patents: 180.11504 Da
Monoisotopic Mass: 3.5
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]+	181.12232	139.7
[M+Na]+	203.10426	146.7
[M-H]-	179.10776	141.8
[M+NH4]+	198.14886	159.3
[M+K]+	219.07820	144.5
[M+H-H2O]+	163.11230	134.0
[M+HCOO]-	225.11324	162.6
[M+CH3COO]-	239.12889	179.9
[M+Na-2H]-	201.08971	145.7
[M]+	180.11449	141.7
[M]-	180.11559	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe