CID 59170021

1003560-80-2

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1CNCC1(C2=CN=CC=C2)O

InChI

InChI=1S/C9H12N2O/c12-9(3-5-11-7-9)8-2-1-4-10-6-8/h1-2,4,6,11-12H,3,5,7H2

InChIKey

JMXKYQVCVCJEHQ-UHFFFAOYSA-N

Compound name

3-pyridin-3-ylpyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 164.09496 Da
Monoisotopic Mass: -0.5
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	135.1
[M+Na]+	187.08418	141.8
[M-H]-	163.08768	136.2
[M+NH4]+	182.12878	154.9
[M+K]+	203.05812	138.5
[M+H-H2O]+	147.09222	128.0
[M+HCOO]-	209.09316	153.7
[M+CH3COO]-	223.10881	147.1
[M+Na-2H]-	185.06963	141.3
[M]+	164.09441	129.3
[M]-	164.09551	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe