CID 11736600

52458-10-3

Structural Information

Molecular Formula

C₁₇H₂₀O

SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C17H20O/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3

InChIKey

QBMLBNAXJHSILE-UHFFFAOYSA-N

Compound name

1-tert-butyl-4-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 169
Patents: 240.15141 Da
Monoisotopic Mass: 5.5
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]+	241.15869	156.9
[M+Na]+	263.14063	163.8
[M-H]-	239.14413	163.5
[M+NH4]+	258.18523	174.7
[M+K]+	279.11457	160.2
[M+H-H2O]+	223.14867	149.8
[M+HCOO]-	285.14961	179.0
[M+CH3COO]-	299.16526	194.0
[M+Na-2H]-	261.12608	163.4
[M]+	240.15086	158.4
[M]-	240.15196	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe