CID 105591

P-(dimethoxymethyl) cumene

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

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

InChI

InChI=1S/C12H18O2/c1-9(2)10-5-7-11(8-6-10)12(13-3)14-4/h5-9,12H,1-4H3

InChIKey

MKTYGYDXBXBRFK-UHFFFAOYSA-N

Compound name

1-(dimethoxymethyl)-4-propan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 31
Patents: 194.13068 Da
Monoisotopic Mass: 2.7
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]+	195.13796	143.8
[M+Na]+	217.11990	156.0
[M+NH4]+	212.16450	152.3
[M+K]+	233.09384	150.1
[M-H]-	193.12340	145.8
[M+Na-2H]-	215.10535	150.1
[M]+	194.13013	146.1
[M]-	194.13123	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe