CID 75228

2235-01-0

Structural Information

Molecular Formula

C₁₅H₁₆O₂

SMILES

COC(C1=CC=CC=C1)(C2=CC=CC=C2)OC

InChI

InChI=1S/C15H16O2/c1-16-15(17-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3

InChIKey

NYRVXYOKUZSUDA-UHFFFAOYSA-N

Compound name

[dimethoxy(phenyl)methyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1137
Patents: 228.11504 Da
Monoisotopic Mass: 4.0
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]+	229.122316	151.5
[M+Na]+	251.104258	158.1
[M-H]-	227.107764	158.0
[M+NH4]+	246.148863	169.2
[M+K]+	267.078198	155.5
[M+H-H2O]+	211.112300	144.3
[M+HCOO]-	273.113241	174.4
[M+CH3COO]-	287.128891	189.5
[M+Na-2H]-	249.089706	159.7
[M]+	228.11449142	153.3
[M]-	228.11558858	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe