CID 28875429

869293-80-1

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

C1COCCC1OC2=NC=CC(=C2)CN

InChI

InChI=1S/C11H16N2O2/c12-8-9-1-4-13-11(7-9)15-10-2-5-14-6-3-10/h1,4,7,10H,2-3,5-6,8,12H2

InChIKey

HQJIPLPCDHLOFW-UHFFFAOYSA-N

Compound name

[2-(oxan-4-yloxy)pyridin-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 208.12119 Da
Monoisotopic Mass: 0.4
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]+	209.12847	146.2
[M+Na]+	231.11041	151.1
[M-H]-	207.11391	150.8
[M+NH4]+	226.15501	161.3
[M+K]+	247.08435	149.9
[M+H-H2O]+	191.11845	137.8
[M+HCOO]-	253.11939	165.9
[M+CH3COO]-	267.13504	186.1
[M+Na-2H]-	229.09586	152.3
[M]+	208.12064	142.6
[M]-	208.12174	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe