CID 561155

Benzyl tert-butyl ether

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC(C)(C)OCC1=CC=CC=C1

InChI

InChI=1S/C11H16O/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3

InChIKey

TZGIRWVSWPFWBP-UHFFFAOYSA-N

Compound name

(2-methylpropan-2-yl)oxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1016
Patents: 164.12012 Da
Monoisotopic Mass: 2.9
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]+	165.12740	136.5
[M+Na]+	187.10934	143.7
[M-H]-	163.11284	140.1
[M+NH4]+	182.15394	157.5
[M+K]+	203.08328	142.3
[M+H-H2O]+	147.11738	131.3
[M+HCOO]-	209.11832	159.2
[M+CH3COO]-	223.13397	179.2
[M+Na-2H]-	185.09479	144.4
[M]+	164.11957	138.1
[M]-	164.12067	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe