CID 7176312

1-(pyrrolidin-3-yl)piperidine

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

C1CCN(CC1)[C@@H]2CCNC2

InChI

InChI=1S/C9H18N2/c1-2-6-11(7-3-1)9-4-5-10-8-9/h9-10H,1-8H2/t9-/m1/s1

InChIKey

BTZQCTWJDFNRMS-SECBINFHSA-N

Compound name

1-[(3R)-pyrrolidin-3-yl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 242
Patents: 154.147 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]+	155.154276	137.6
[M+Na]+	177.136218	140.6
[M-H]-	153.139724	138.4
[M+NH4]+	172.180823	156.2
[M+K]+	193.110158	138.3
[M+H-H2O]+	137.144260	129.4
[M+HCOO]-	199.145201	152.9
[M+CH3COO]-	213.160851	148.0
[M+Na-2H]-	175.121666	139.9
[M]+	154.14645142	127.5
[M]-	154.14754858	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe