CID 20422

Decahydroazecine

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

C1CCCCNCCCC1

InChI

InChI=1S/C9H19N/c1-2-4-6-8-10-9-7-5-3-1/h10H,1-9H2

InChIKey

VJEIIJANCJRLFJ-UHFFFAOYSA-N

Compound name

azecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 774
Patents: 141.15175 Da
Monoisotopic Mass: 2.6
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]+	142.15903	133.8
[M+Na]+	164.14097	143.3
[M+NH4]+	159.18557	142.0
[M+K]+	180.11491	136.4
[M-H]-	140.14447	135.5
[M+Na-2H]-	162.12642	139.3
[M]+	141.15120	135.1
[M]-	141.15230	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe