CID 88792

21112-37-8

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OC

InChI

InChI=1S/C12H18O2/c1-12(2,3)10-8-9(13-4)6-7-11(10)14-5/h6-8H,1-5H3

InChIKey

ALVJDUNBMKMTDC-UHFFFAOYSA-N

Compound name

2-tert-butyl-1,4-dimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 373
Patents: 194.13068 Da
Monoisotopic Mass: 3.5
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]+	195.137956	142.8
[M+Na]+	217.119898	151.4
[M-H]-	193.123404	147.1
[M+NH4]+	212.164503	163.3
[M+K]+	233.093838	150.4
[M+H-H2O]+	177.127940	137.7
[M+HCOO]-	239.128881	165.4
[M+CH3COO]-	253.144531	186.4
[M+Na-2H]-	215.105346	149.0
[M]+	194.13013142	147.1
[M]-	194.13122858	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe