CID 20081645

2445784-65-4

Structural Information

Molecular Formula

C₁₃H₂₆N₂

SMILES

C1CCC(CC1)CNCCN2CCCC2

InChI

InChI=1S/C13H26N2/c1-2-6-13(7-3-1)12-14-8-11-15-9-4-5-10-15/h13-14H,1-12H2

InChIKey

QGBUXUMISNANLD-UHFFFAOYSA-N

Compound name

N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 210.2096 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]+	211.21688	153.2
[M+Na]+	233.19882	153.9
[M-H]-	209.20232	156.1
[M+NH4]+	228.24342	171.2
[M+K]+	249.17276	151.5
[M+H-H2O]+	193.20686	144.7
[M+HCOO]-	255.20780	171.0
[M+CH3COO]-	269.22345	188.3
[M+Na-2H]-	231.18427	154.4
[M]+	210.20905	145.2
[M]-	210.21015	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe