CID 165469818

3-(trimethoxymethyl)-1,1'-biphenyl

Structural Information

Molecular Formula

C₁₆H₁₈O₃

SMILES

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

InChI

InChI=1S/C16H18O3/c1-17-16(18-2,19-3)15-11-7-10-14(12-15)13-8-5-4-6-9-13/h4-12H,1-3H3

InChIKey

SJQNPJHSLICZMB-UHFFFAOYSA-N

Compound name

1-phenyl-3-(trimethoxymethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 258.12558 Da
Monoisotopic Mass: 3.9
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]+	259.132856	159.1
[M+Na]+	281.114798	166.1
[M-H]-	257.118304	165.8
[M+NH4]+	276.159403	175.8
[M+K]+	297.088738	163.9
[M+H-H2O]+	241.122840	151.6
[M+HCOO]-	303.123781	181.9
[M+CH3COO]-	317.139431	195.7
[M+Na-2H]-	279.100246	166.2
[M]+	258.12503142	163.1
[M]-	258.12612858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe