CID 4962212

100955-81-5

Structural Information

Molecular Formula

C₁₅H₁₇NO₂

SMILES

COC1=C(C=CC(=C1)CN)OCC2=CC=CC=C2

InChI

InChI=1S/C15H17NO2/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-9H,10-11,16H2,1H3

InChIKey

KGFTVIUXEMKAIT-UHFFFAOYSA-N

Compound name

(3-methoxy-4-phenylmethoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 243.12593 Da
Monoisotopic Mass: 2.0
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]+	244.13321	156.0
[M+Na]+	266.11515	170.1
[M+NH4]+	261.15975	164.8
[M+K]+	282.08909	162.1
[M-H]-	242.11865	161.3
[M+Na-2H]-	264.10060	165.4
[M]+	243.12538	159.6
[M]-	243.12648	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe