CID 70289

Methyl cumyl ether

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

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

InChI

InChI=1S/C10H14O/c1-10(2,11-3)9-7-5-4-6-8-9/h4-8H,1-3H3

InChIKey

MRFQFQYRTNGOCZ-UHFFFAOYSA-N

Compound name

2-methoxypropan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 833
Patents: 150.10446 Da
Monoisotopic Mass: 3.1
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]+	151.11174	132.2
[M+Na]+	173.09368	145.3
[M+NH4]+	168.13828	141.6
[M+K]+	189.06762	138.7
[M-H]-	149.09718	134.6
[M+Na-2H]-	171.07913	140.4
[M]+	150.10391	134.9
[M]-	150.10501	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe