CID 140754

1-butoxy-4-methoxybenzene

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CCCCOC1=CC=C(C=C1)OC

InChI

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

InChIKey

LBDWIFOIHJVJBH-UHFFFAOYSA-N

Compound name

1-butoxy-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 92
Patents: 180.11504 Da
Monoisotopic Mass: 3.2
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]+	181.12232	139.1
[M+Na]+	203.10426	152.2
[M+NH4]+	198.14886	148.0
[M+K]+	219.07820	144.9
[M-H]-	179.10776	141.6
[M+Na-2H]-	201.08971	146.4
[M]+	180.11449	141.7
[M]-	180.11559	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe