CID 2774690

175135-47-4

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

COC1=CC=C(C=C1)COC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C16H15NO2/c1-18-15-6-4-14(5-7-15)12-19-16-8-2-13(3-9-16)10-11-17/h2-9H,10,12H2,1H3

InChIKey

QJEJLARVLKHYFW-UHFFFAOYSA-N

Compound name

2-[4-[(4-methoxyphenyl)methoxy]phenyl]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 253.11028 Da
Monoisotopic Mass: 3.0
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]+	254.11756	159.2
[M+Na]+	276.09950	169.2
[M-H]-	252.10300	164.6
[M+NH4]+	271.14410	174.4
[M+K]+	292.07344	163.9
[M+H-H2O]+	236.10754	145.2
[M+HCOO]-	298.10848	179.6
[M+CH3COO]-	312.12413	206.3
[M+Na-2H]-	274.08495	164.0
[M]+	253.10973	156.9
[M]-	253.11083	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe