CID 2794691

1-(piperidine-4-carbonyl)azepane hydrochloride

Structural Information

Molecular Formula

C₁₂H₂₂N₂O

SMILES

C1CCCN(CC1)C(=O)C2CCNCC2

InChI

InChI=1S/C12H22N2O/c15-12(11-5-7-13-8-6-11)14-9-3-1-2-4-10-14/h11,13H,1-10H2

InChIKey

BWKOHTHENZSVRL-UHFFFAOYSA-N

Compound name

azepan-1-yl(piperidin-4-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 210.17322 Da
Monoisotopic Mass: 1.0
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	148.7
[M+Na]+	233.16244	148.3
[M-H]-	209.16594	150.1
[M+NH4]+	228.20704	161.9
[M+K]+	249.13638	149.6
[M+H-H2O]+	193.17048	139.8
[M+HCOO]-	255.17142	160.0
[M+CH3COO]-	269.18707	184.1
[M+Na-2H]-	231.14789	149.8
[M]+	210.17267	135.1
[M]-	210.17377	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe