CID 3074469

Alpha-cyclohexyl-6-(pentyloxy)-2-naphthalenemethanol

Structural Information

Molecular Formula

C₂₂H₃₀O₂

SMILES

CCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(C3CCCCC3)O

InChI

InChI=1S/C22H30O2/c1-2-3-7-14-24-21-13-12-18-15-20(11-10-19(18)16-21)22(23)17-8-5-4-6-9-17/h10-13,15-17,22-23H,2-9,14H2,1H3

InChIKey

QYTIEWDAMWHASZ-UHFFFAOYSA-N

Compound name

cyclohexyl-(6-pentoxynaphthalen-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.22458 Da
Monoisotopic Mass: 6.5
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]+	327.231856	181.9
[M+Na]+	349.213798	184.2
[M-H]-	325.217304	186.0
[M+NH4]+	344.258403	195.7
[M+K]+	365.187738	179.1
[M+H-H2O]+	309.221840	173.2
[M+HCOO]-	371.222781	196.7
[M+CH3COO]-	385.238431	209.2
[M+Na-2H]-	347.199246	182.6
[M]+	326.22403142	179.1
[M]-	326.22512858	179.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.