CID 72212147

1060804-47-8

Structural Information

Molecular Formula

C₁₃H₁₄N₂O

SMILES

C1=CC=C(C=C1)COC2=C(C=CN=C2)CN

InChI

InChI=1S/C13H14N2O/c14-8-12-6-7-15-9-13(12)16-10-11-4-2-1-3-5-11/h1-7,9H,8,10,14H2

InChIKey

RSPRNXJIYWXVOP-UHFFFAOYSA-N

Compound name

(3-phenylmethoxypyridin-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 214.11061 Da
Monoisotopic Mass: 1.2
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]+	215.11789	148.1
[M+Na]+	237.09983	162.4
[M+NH4]+	232.14443	156.9
[M+K]+	253.07377	154.4
[M-H]-	213.10333	153.0
[M+Na-2H]-	235.08528	158.2
[M]+	214.11006	151.6
[M]-	214.11116	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe