CID 210237

Pyrrolidine, 1,1'-hexamethylenedi-

Structural Information

Molecular Formula

C₁₄H₂₈N₂

SMILES

C1CCN(C1)CCCCCCN2CCCC2

InChI

InChI=1S/C14H28N2/c1(3-9-15-11-5-6-12-15)2-4-10-16-13-7-8-14-16/h1-14H2

InChIKey

SRUXFFIVHYSOBQ-UHFFFAOYSA-N

Compound name

1-(6-pyrrolidin-1-ylhexyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 224.22525 Da
Monoisotopic Mass: 2.7
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]+	225.23253	159.9
[M+Na]+	247.21447	167.7
[M+NH4]+	242.25907	168.0
[M+K]+	263.18841	163.7
[M-H]-	223.21797	161.6
[M+Na-2H]-	245.19992	163.2
[M]+	224.22470	161.1
[M]-	224.22580	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe