CID 142825

195311-28-5

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

C1CCN(C1)CC2CCCN2

InChI

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

InChIKey

YLBWRMSQRFEIEB-UHFFFAOYSA-N

Compound name

1-(pyrrolidin-2-ylmethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1567
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	138.0
[M+Na]+	177.136218	141.9
[M-H]-	153.139724	139.4
[M+NH4]+	172.180823	158.5
[M+K]+	193.110158	140.0
[M+H-H2O]+	137.144260	130.1
[M+HCOO]-	199.145201	155.6
[M+CH3COO]-	213.160851	149.2
[M+Na-2H]-	175.121666	138.7
[M]+	154.14645142	130.3
[M]-	154.14754858	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe