CID 58770022

6-cyclobutoxypyridin-3-amine

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1CC(C1)OC2=NC=C(C=C2)N

InChI

InChI=1S/C9H12N2O/c10-7-4-5-9(11-6-7)12-8-2-1-3-8/h4-6,8H,1-3,10H2

InChIKey

JRBXTNBZQGKGBX-UHFFFAOYSA-N

Compound name

6-cyclobutyloxypyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 164.09496 Da
Monoisotopic Mass: 1.4
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]+	165.10224	131.6
[M+Na]+	187.08418	137.4
[M-H]-	163.08768	136.2
[M+NH4]+	182.12878	143.8
[M+K]+	203.05812	138.7
[M+H-H2O]+	147.09222	118.9
[M+HCOO]-	209.09316	153.7
[M+CH3COO]-	223.10881	182.8
[M+Na-2H]-	185.06963	138.1
[M]+	164.09441	137.8
[M]-	164.09551	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe