CID 91469968

6-(pyrrolidin-1-yl)pyridin-3-ol

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1CCN(C1)C2=NC=C(C=C2)O

InChI

InChI=1S/C9H12N2O/c12-8-3-4-9(10-7-8)11-5-1-2-6-11/h3-4,7,12H,1-2,5-6H2

InChIKey

GSFYMXMLEAEXGC-UHFFFAOYSA-N

Compound name

6-pyrrolidin-1-ylpyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 164.09496 Da
Monoisotopic Mass: 1.4
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]+	165.10224	134.3
[M+Na]+	187.08418	141.4
[M-H]-	163.08768	136.8
[M+NH4]+	182.12878	153.1
[M+K]+	203.05812	138.8
[M+H-H2O]+	147.09222	126.6
[M+HCOO]-	209.09316	154.4
[M+CH3COO]-	223.10881	146.9
[M+Na-2H]-	185.06963	139.2
[M]+	164.09441	130.5
[M]-	164.09551	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe