CID 180501

Ethanol, 2-(butylphenoxy)-

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CCCCC1=CC=CC=C1OCCO

InChI

InChI=1S/C12H18O2/c1-2-3-6-11-7-4-5-8-12(11)14-10-9-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3

InChIKey

QKAHUMCAGDGQQU-UHFFFAOYSA-N

Compound name

2-(2-butylphenoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 194.13068 Da
Monoisotopic Mass: 3.1
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]+	195.137956	144.3
[M+Na]+	217.119898	150.9
[M-H]-	193.123404	146.3
[M+NH4]+	212.164503	163.4
[M+K]+	233.093838	148.4
[M+H-H2O]+	177.127940	138.4
[M+HCOO]-	239.128881	166.9
[M+CH3COO]-	253.144531	182.9
[M+Na-2H]-	215.105346	149.8
[M]+	194.13013142	146.7
[M]-	194.13122858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe