CID 20735294

933716-32-6

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

C1CNCCC1OCC2=CN=CC=C2

InChI

InChI=1S/C11H16N2O/c1-2-10(8-13-5-1)9-14-11-3-6-12-7-4-11/h1-2,5,8,11-12H,3-4,6-7,9H2

InChIKey

KTJBVZFNQRJDHL-UHFFFAOYSA-N

Compound name

3-(piperidin-4-yloxymethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 192.12627 Da
Monoisotopic Mass: 0.6
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]+	193.13355	143.6
[M+Na]+	215.11549	147.8
[M-H]-	191.11899	144.8
[M+NH4]+	210.16009	158.9
[M+K]+	231.08943	144.6
[M+H-H2O]+	175.12353	134.8
[M+HCOO]-	237.12447	160.6
[M+CH3COO]-	251.14012	178.8
[M+Na-2H]-	213.10094	149.8
[M]+	192.12572	137.8
[M]-	192.12682	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe