CID 75678

2539-21-1

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(C)OC1=CC=CC=C1OC

InChI

InChI=1S/C10H14O2/c1-8(2)12-10-7-5-4-6-9(10)11-3/h4-8H,1-3H3

InChIKey

HZXKDBNTDXFOIG-UHFFFAOYSA-N

Compound name

1-methoxy-2-propan-2-yloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 166.09938 Da
Monoisotopic Mass: 2.4
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]+	167.10666	134.5
[M+Na]+	189.08860	142.2
[M-H]-	165.09210	138.4
[M+NH4]+	184.13320	155.5
[M+K]+	205.06254	141.7
[M+H-H2O]+	149.09664	128.9
[M+HCOO]-	211.09758	158.3
[M+CH3COO]-	225.11323	180.4
[M+Na-2H]-	187.07405	140.4
[M]+	166.09883	137.5
[M]-	166.09993	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe