CID 218423

40576-23-6

Structural Information

Molecular Formula

C₁₂H₂₂N₂O

SMILES

CN1CCCC(C1)C(=O)N2CCCCC2

InChI

InChI=1S/C12H22N2O/c1-13-7-5-6-11(10-13)12(15)14-8-3-2-4-9-14/h11H,2-10H2,1H3

InChIKey

LJZSMGYSNXRFQB-UHFFFAOYSA-N

Compound name

(1-methylpiperidin-3-yl)-piperidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 210.17322 Da
Monoisotopic Mass: 1.1
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]+	211.18050	152.6
[M+Na]+	233.16244	154.8
[M-H]-	209.16594	154.5
[M+NH4]+	228.20704	167.9
[M+K]+	249.13638	152.9
[M+H-H2O]+	193.17048	143.7
[M+HCOO]-	255.17142	165.6
[M+CH3COO]-	269.18707	186.1
[M+Na-2H]-	231.14789	153.6
[M]+	210.17267	143.7
[M]-	210.17377	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe