CID 458601

858262-19-8

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

C1CC(CNC1)C2CCCN2

InChI

InChI=1S/C9H18N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h8-11H,1-7H2

InChIKey

QLTZNGNUWYPOSS-UHFFFAOYSA-N

Compound name

3-pyrrolidin-2-ylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 154.147 Da
Monoisotopic Mass: 0.7
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]+	155.15428	138.2
[M+Na]+	177.13622	140.7
[M-H]-	153.13972	137.6
[M+NH4]+	172.18082	156.0
[M+K]+	193.11016	137.5
[M+H-H2O]+	137.14426	130.3
[M+HCOO]-	199.14520	152.0
[M+CH3COO]-	213.16085	147.9
[M+Na-2H]-	175.12167	140.0
[M]+	154.14645	126.3
[M]-	154.14755	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe