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	147.1
[M+Na]+	237.09983	154.2
[M-H]-	213.10333	151.8
[M+NH4]+	232.14443	163.6
[M+K]+	253.07377	150.4
[M+H-H2O]+	197.10787	138.7
[M+HCOO]-	259.10881	171.1
[M+CH3COO]-	273.12446	189.0
[M+Na-2H]-	235.08528	154.5
[M]+	214.11006	146.4
[M]-	214.11116	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe