CID 15875394

Benzene, [2-(cyclopentyloxy)ethyl]-

Structural Information

Molecular Formula

C₁₃H₁₈O

SMILES

C1CCC(C1)OCCC2=CC=CC=C2

InChI

InChI=1S/C13H18O/c1-2-6-12(7-3-1)10-11-14-13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2

InChIKey

WVOZHIRBKFYTDG-UHFFFAOYSA-N

Compound name

2-cyclopentyloxyethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 190.13577 Da
Monoisotopic Mass: 3.3
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]+	191.143046	144.0
[M+Na]+	213.124988	148.9
[M-H]-	189.128494	149.8
[M+NH4]+	208.169593	164.9
[M+K]+	229.098928	146.4
[M+H-H2O]+	173.133030	137.3
[M+HCOO]-	235.133971	166.9
[M+CH3COO]-	249.149621	181.8
[M+Na-2H]-	211.110436	148.1
[M]+	190.13522142	142.1
[M]-	190.13631858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe