CID 29354

4-hexyloxyphenol

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CCCCCCOC1=CC=C(C=C1)O

InChI

InChI=1S/C12H18O2/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,13H,2-5,10H2,1H3

InChIKey

XIIIHRLCKLSYNH-UHFFFAOYSA-N

Compound name

4-hexoxyphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 902
Patents: 194.13068 Da
Monoisotopic Mass: 4.0
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]+	195.13796	144.2
[M+Na]+	217.11990	156.6
[M+NH4]+	212.16450	152.5
[M+K]+	233.09384	149.2
[M-H]-	193.12340	146.1
[M+Na-2H]-	215.10535	150.6
[M]+	194.13013	146.5
[M]-	194.13123	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe