CID 20422

Azacyclodecane

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: 1539
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	132.6
[M+Na]+	164.14097	134.7
[M-H]-	140.14447	129.1
[M+NH4]+	159.18557	148.7
[M+K]+	180.11491	134.0
[M+H-H2O]+	124.14901	129.0
[M+HCOO]-	186.14995	148.1
[M+CH3COO]-	200.16560	165.9
[M+Na-2H]-	162.12642	136.7
[M]+	141.15120	120.5
[M]-	141.15230	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe