CID 11984350

2-tert-butoxy-6-chloropyridine

Structural Information

Molecular Formula

C₉H₁₂ClNO

SMILES

CC(C)(C)OC1=NC(=CC=C1)Cl

InChI

InChI=1S/C9H12ClNO/c1-9(2,3)12-8-6-4-5-7(10)11-8/h4-6H,1-3H3

InChIKey

PLDRTFJRLUKTTA-UHFFFAOYSA-N

Compound name

2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 185.06075 Da
Monoisotopic Mass: 3.2
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]+	186.06803	137.4
[M+Na]+	208.04997	147.1
[M-H]-	184.05347	140.0
[M+NH4]+	203.09457	157.3
[M+K]+	224.02391	144.1
[M+H-H2O]+	168.05801	132.2
[M+HCOO]-	230.05895	154.7
[M+CH3COO]-	244.07460	180.7
[M+Na-2H]-	206.03542	145.2
[M]+	185.06020	141.0
[M]-	185.06130	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe