CID 4993105

4-(pyrrolidin-3-yl)pyridine

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1CNCC1C2=CC=NC=C2

InChI

InChI=1S/C9H12N2/c1-4-10-5-2-8(1)9-3-6-11-7-9/h1-2,4-5,9,11H,3,6-7H2

InChIKey

HWJSDKNFWQDVIG-UHFFFAOYSA-N

Compound name

4-pyrrolidin-3-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 347
Patents: 148.10005 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]+	149.107326	131.1
[M+Na]+	171.089268	137.4
[M-H]-	147.092774	133.2
[M+NH4]+	166.133873	150.3
[M+K]+	187.063208	134.3
[M+H-H2O]+	131.097310	123.3
[M+HCOO]-	193.098251	151.0
[M+CH3COO]-	207.113901	143.5
[M+Na-2H]-	169.074716	136.8
[M]+	148.09950142	125.5
[M]-	148.10059858	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe