CID 10496393

69898-56-2

Structural Information

Molecular Formula

C₂₂H₃₀O₂

SMILES

CC(C)(C)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H30O2/c1-21(2,3)17-7-11-19(12-8-17)23-15-16-24-20-13-9-18(10-14-20)22(4,5)6/h7-14H,15-16H2,1-6H3

InChIKey

NIHMPJAREIUKNW-UHFFFAOYSA-N

Compound name

1-tert-butyl-4-[2-(4-tert-butylphenoxy)ethoxy]benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 326.22458 Da
Monoisotopic Mass: 7.2
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	182.7
[M+Na]+	349.213798	188.6
[M-H]-	325.217304	189.0
[M+NH4]+	344.258403	197.3
[M+K]+	365.187738	185.2
[M+H-H2O]+	309.221840	175.1
[M+HCOO]-	371.222781	201.6
[M+CH3COO]-	385.238431	211.9
[M+Na-2H]-	347.199246	186.7
[M]+	326.22403142	187.1
[M]-	326.22512858	187.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe