CID 122365

(alpha-methylbenzyl)anisole

Structural Information

Molecular Formula

C₁₅H₁₆O

SMILES

CC(C1=CC=CC=C1)C2=CC=CC=C2OC

InChI

InChI=1S/C15H16O/c1-12(13-8-4-3-5-9-13)14-10-6-7-11-15(14)16-2/h3-12H,1-2H3

InChIKey

PNIZXQAEXRQZJU-UHFFFAOYSA-N

Compound name

1-methoxy-2-(1-phenylethyl)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 43
Patents: 212.12012 Da
Monoisotopic Mass: 4.1
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]+	213.127396	147.6
[M+Na]+	235.109338	154.5
[M-H]-	211.112844	154.3
[M+NH4]+	230.153943	166.2
[M+K]+	251.083278	151.4
[M+H-H2O]+	195.117380	140.4
[M+HCOO]-	257.118321	170.9
[M+CH3COO]-	271.133971	189.1
[M+Na-2H]-	233.094786	153.3
[M]+	212.11957142	148.2
[M]-	212.12066858	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe