CID 102981572

2-chloro-6-(pentan-2-yloxy)pyridine

Structural Information

Molecular Formula

C₁₀H₁₄ClNO

SMILES

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

InChI

InChI=1S/C10H14ClNO/c1-3-5-8(2)13-10-7-4-6-9(11)12-10/h4,6-8H,3,5H2,1-2H3

InChIKey

QXUVBNRVILUFFP-UHFFFAOYSA-N

Compound name

2-chloro-6-pentan-2-yloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 199.07639 Da
Monoisotopic Mass: 3.8
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]+	200.083666	141.3
[M+Na]+	222.065608	149.7
[M-H]-	198.069114	143.4
[M+NH4]+	217.110213	160.4
[M+K]+	238.039548	146.5
[M+H-H2O]+	182.073650	135.4
[M+HCOO]-	244.074591	158.9
[M+CH3COO]-	258.090241	184.8
[M+Na-2H]-	220.051056	146.7
[M]+	199.07584142	145.2
[M]-	199.07693858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe