CID 16791216

871893-47-9

Structural Information

Molecular Formula

C₁₄H₁₅NO

SMILES

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

InChI

InChI=1S/C14H15NO/c15-10-12-5-4-6-13(9-12)11-16-14-7-2-1-3-8-14/h1-9H,10-11,15H2

InChIKey

SFQYXARJWMIOQD-UHFFFAOYSA-N

Compound name

[3-(phenoxymethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 213.11537 Da
Monoisotopic Mass: 2.6
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]+	214.12265	148.5
[M+Na]+	236.10459	162.9
[M+NH4]+	231.14919	158.0
[M+K]+	252.07853	154.3
[M-H]-	212.10809	154.3
[M+Na-2H]-	234.09004	158.8
[M]+	213.11482	152.3
[M]-	213.11592	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe