CID 7176272

1-(pyrrolidin-3-yl)pyrrolidine

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

C1CCN(C1)[C@@H]2CCNC2

InChI

InChI=1S/C8H16N2/c1-2-6-10(5-1)8-3-4-9-7-8/h8-9H,1-7H2/t8-/m1/s1

InChIKey

HFZLSTDPRQSZCQ-MRVPVSSYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17616
Patents: 140.13135 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]+	141.138626	133.6
[M+Na]+	163.120568	137.9
[M-H]-	139.124074	135.1
[M+NH4]+	158.165173	154.6
[M+K]+	179.094508	136.3
[M+H-H2O]+	123.128610	125.9
[M+HCOO]-	185.129551	151.5
[M+CH3COO]-	199.145201	145.2
[M+Na-2H]-	161.106016	134.8
[M]+	140.13080142	125.5
[M]-	140.13189858	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe