CID 18413475

Azacycloundecane

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

C1CCCCCNCCCC1

InChI

InChI=1S/C10H21N/c1-2-4-6-8-10-11-9-7-5-3-1/h11H,1-10H2

InChIKey

UOIGOLSKSFDTHJ-UHFFFAOYSA-N

Compound name

azacycloundecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 360
Patents: 155.1674 Da
Monoisotopic Mass: 3.2
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]+	156.17468	136.9
[M+Na]+	178.15662	138.4
[M-H]-	154.16012	133.5
[M+NH4]+	173.20122	152.4
[M+K]+	194.13056	137.5
[M+H-H2O]+	138.16466	133.2
[M+HCOO]-	200.16560	151.7
[M+CH3COO]-	214.18125	167.8
[M+Na-2H]-	176.14207	140.4
[M]+	155.16685	124.0
[M]-	155.16795	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe