CID 819981

3-(cyclopentyloxy)benzaldehyde

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

C1CCC(C1)OC2=CC=CC(=C2)C=O

InChI

InChI=1S/C12H14O2/c13-9-10-4-3-7-12(8-10)14-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2

InChIKey

WWUQYSHWTLWESE-UHFFFAOYSA-N

Compound name

3-cyclopentyloxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 190.09938 Da
Monoisotopic Mass: 2.6
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]+	191.10666	141.0
[M+Na]+	213.08860	147.5
[M-H]-	189.09210	147.4
[M+NH4]+	208.13320	162.1
[M+K]+	229.06254	145.2
[M+H-H2O]+	173.09664	134.6
[M+HCOO]-	235.09758	164.6
[M+CH3COO]-	249.11323	181.0
[M+Na-2H]-	211.07405	145.0
[M]+	190.09883	139.8
[M]-	190.09993	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe