CID 3104713

83626-30-6

Structural Information

Molecular Formula

C₁₈H₂₆O

SMILES

CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C18H26O/c1-3-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19/h10-13,15,17H,3-9H2,1-2H3

InChIKey

JSSOGWPPKQYPSP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 258.19836 Da
Monoisotopic Mass: 6.0
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]+	259.20564	165.0
[M+Na]+	281.18758	177.4
[M+NH4]+	276.23218	174.0
[M+K]+	297.16152	168.9
[M-H]-	257.19108	169.7
[M+Na-2H]-	279.17303	171.7
[M]+	258.19781	168.1
[M]-	258.19891	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe