CID 14251857

4-(butoxymethyl)phenol

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CCCCOCC1=CC=C(C=C1)O

InChI

InChI=1S/C11H16O2/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,12H,2-3,8-9H2,1H3

InChIKey

GGPCJIKQXDNJJY-UHFFFAOYSA-N

Compound name

4-(butoxymethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 44
Patents: 180.11504 Da
Monoisotopic Mass: 2.5
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	152.2
[M+NH4]+	198.14886	148.1
[M+K]+	219.07820	145.2
[M-H]-	179.10776	141.6
[M+Na-2H]-	201.08971	146.3
[M]+	180.11449	142.0
[M]-	180.11559	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe