CID 292590

4-(tetrahydropyran-4-yl)-pyridine

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1COCCC1C2=CC=NC=C2

InChI

InChI=1S/C10H13NO/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-2,5-6,10H,3-4,7-8H2

InChIKey

AKUXCQRVEFNNCG-UHFFFAOYSA-N

Compound name

4-(oxan-4-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 163.09972 Da
Monoisotopic Mass: 1.2
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]+	164.10700	133.8
[M+Na]+	186.08894	139.1
[M-H]-	162.09244	138.8
[M+NH4]+	181.13354	151.2
[M+K]+	202.06288	138.2
[M+H-H2O]+	146.09698	126.1
[M+HCOO]-	208.09792	153.2
[M+CH3COO]-	222.11357	146.4
[M+Na-2H]-	184.07439	141.9
[M]+	163.09917	129.6
[M]-	163.10027	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe