CID 67523

Azacyclotridecane

Structural Information

Molecular Formula

C₁₂H₂₅N

SMILES

C1CCCCCCNCCCCC1

InChI

InChI=1S/C12H25N/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h13H,1-12H2

InChIKey

UFADJPZTTUWZMP-UHFFFAOYSA-N

Compound name

azacyclotridecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 957
Patents: 183.1987 Da
Monoisotopic Mass: 4.2
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]+	184.20598	145.5
[M+Na]+	206.18792	145.5
[M-H]-	182.19142	142.2
[M+NH4]+	201.23252	159.5
[M+K]+	222.16186	144.3
[M+H-H2O]+	166.19596	141.5
[M+HCOO]-	228.19690	158.6
[M+CH3COO]-	242.21255	171.8
[M+Na-2H]-	204.17337	147.5
[M]+	183.19815	130.8
[M]-	183.19925	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe