CID 66718414

2044796-66-7

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

C1COCC1OCC2=CC=CC(=N2)CN

InChI

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

InChIKey

BBKGPBZDHDBSSO-UHFFFAOYSA-N

Compound name

[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 208.12119 Da
Monoisotopic Mass: -0.5
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]+	209.128466	145.4
[M+Na]+	231.110408	151.2
[M-H]-	207.113914	150.4
[M+NH4]+	226.155013	162.5
[M+K]+	247.084348	150.0
[M+H-H2O]+	191.118450	137.7
[M+HCOO]-	253.119391	167.3
[M+CH3COO]-	267.135041	185.6
[M+Na-2H]-	229.095856	150.1
[M]+	208.12064142	144.0
[M]-	208.12173858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe