CID 3019938

84540-34-1

Structural Information

Molecular Formula

C₁₈H₂₈O

SMILES

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

InChI

InChI=1S/C18H28O/c1-3-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19-4-2/h11-16H,3-10H2,1-2H3

InChIKey

MMWGNKDKZYGDKH-UHFFFAOYSA-N

Compound name

1-(4-butylcyclohexyl)-4-ethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 260.21402 Da
Monoisotopic Mass: 6.7
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]+	261.22130	165.4
[M+Na]+	283.20324	169.1
[M-H]-	259.20674	170.6
[M+NH4]+	278.24784	182.2
[M+K]+	299.17718	165.4
[M+H-H2O]+	243.21128	157.6
[M+HCOO]-	305.21222	184.4
[M+CH3COO]-	319.22787	199.4
[M+Na-2H]-	281.18869	166.9
[M]+	260.21347	163.8
[M]-	260.21457	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe