CID 3152723

2-(cyclopentyloxy)benzaldehyde

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

C1CCC(C1)OC2=CC=CC=C2C=O

InChI

InChI=1S/C12H14O2/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1,4-5,8-9,11H,2-3,6-7H2

InChIKey

QFTDHKYNVLTLPG-UHFFFAOYSA-N

Compound name

2-cyclopentyloxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 190.09938 Da
Monoisotopic Mass: 3.0
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]+	191.106656	141.0
[M+Na]+	213.088598	147.5
[M-H]-	189.092104	147.4
[M+NH4]+	208.133203	162.1
[M+K]+	229.062538	145.2
[M+H-H2O]+	173.096640	134.6
[M+HCOO]-	235.097581	164.6
[M+CH3COO]-	249.113231	181.0
[M+Na-2H]-	211.074046	145.0
[M]+	190.09883142	139.8
[M]-	190.09992858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe