CID 63587446

2-chloro-6-cyclobutoxypyridine

Structural Information

Molecular Formula

C₉H₁₀ClNO

SMILES

C1CC(C1)OC2=NC(=CC=C2)Cl

InChI

InChI=1S/C9H10ClNO/c10-8-5-2-6-9(11-8)12-7-3-1-4-7/h2,5-7H,1,3-4H2

InChIKey

AVAWGCJARZESGD-UHFFFAOYSA-N

Compound name

2-chloro-6-cyclobutyloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 183.04509 Da
Monoisotopic Mass: 3.0
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]+	184.052366	128.0
[M+Na]+	206.034308	136.0
[M-H]-	182.037814	133.0
[M+NH4]+	201.078913	141.2
[M+K]+	222.008248	135.6
[M+H-H2O]+	166.042350	117.0
[M+HCOO]-	228.043291	145.6
[M+CH3COO]-	242.058941	182.5
[M+Na-2H]-	204.019756	135.4
[M]+	183.04454142	138.0
[M]-	183.04563858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe