CID 13312669

2-(4-cyclohexylphenyl)propanal

Structural Information

Molecular Formula

C₁₅H₂₀O

SMILES

CC(C=O)C1=CC=C(C=C1)C2CCCCC2

InChI

InChI=1S/C15H20O/c1-12(11-16)13-7-9-15(10-8-13)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3

InChIKey

VANPJWVJSWGRLV-UHFFFAOYSA-N

Compound name

2-(4-cyclohexylphenyl)propanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 216.15141 Da
Monoisotopic Mass: 4.4
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]+	217.15869	152.1
[M+Na]+	239.14063	164.8
[M+NH4]+	234.18523	161.5
[M+K]+	255.11457	156.7
[M-H]-	215.14413	156.8
[M+Na-2H]-	237.12608	159.8
[M]+	216.15086	155.2
[M]-	216.15196	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe