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: 7
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]+	225.232526	159.7
[M+Na]+	247.214468	161.8
[M-H]-	223.217974	161.5
[M+NH4]+	242.259073	178.0
[M+K]+	263.188408	159.5
[M+H-H2O]+	207.222510	150.6
[M+HCOO]-	269.223451	177.1
[M+CH3COO]-	283.239101	189.3
[M+Na-2H]-	245.199916	158.1
[M]+	224.22470142	155.5
[M]-	224.22579858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe