CID 3104707

78531-59-6

Structural Information

Molecular Formula

C₁₉H₂₈O

SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C19H28O/c1-3-4-5-6-16-7-9-18(10-8-16)19-13-11-17(12-14-19)15(2)20/h11-14,16,18H,3-10H2,1-2H3

InChIKey

ALIWXHRFAQHUSM-UHFFFAOYSA-N

Compound name

1-[4-(4-pentylcyclohexyl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 272.21402 Da
Monoisotopic Mass: 6.6
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]+	273.22130	169.5
[M+Na]+	295.20324	181.7
[M+NH4]+	290.24784	178.3
[M+K]+	311.17718	173.0
[M-H]-	271.20674	174.1
[M+Na-2H]-	293.18869	175.9
[M]+	272.21347	172.6
[M]-	272.21457	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe