CID 15875394

238088-70-5

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

1
Annotation Hits: 0
References: 11
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]+	191.14305	145.2
[M+Na]+	213.12499	157.0
[M+NH4]+	208.16959	155.0
[M+K]+	229.09893	150.6
[M-H]-	189.12849	149.5
[M+Na-2H]-	211.11044	152.9
[M]+	190.13522	148.0
[M]-	190.13632	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe