CID 18337160

2-(pyrrolidin-3-yloxy)pyridine

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1CNCC1OC2=CC=CC=N2

InChI

InChI=1S/C9H12N2O/c1-2-5-11-9(3-1)12-8-4-6-10-7-8/h1-3,5,8,10H,4,6-7H2

InChIKey

FOZWWJMAFNEKFU-UHFFFAOYSA-N

Compound name

2-pyrrolidin-3-yloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 164.09496 Da
Monoisotopic Mass: 0.9
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]+	165.102236	134.2
[M+Na]+	187.084178	140.3
[M-H]-	163.087684	136.2
[M+NH4]+	182.128783	152.6
[M+K]+	203.058118	137.7
[M+H-H2O]+	147.092220	126.2
[M+HCOO]-	209.093161	154.2
[M+CH3COO]-	223.108811	146.4
[M+Na-2H]-	185.069626	139.8
[M]+	164.09441142	130.0
[M]-	164.09550858	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe