CID 79742

Octamethyleneimine

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

C1CCCCNCCC1

InChI

InChI=1S/C8H17N/c1-2-4-6-8-9-7-5-3-1/h9H,1-8H2

InChIKey

NRHDCQLCSOWVTF-UHFFFAOYSA-N

Compound name

azonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 46
References: 3353
Patents: 127.1361 Da
Monoisotopic Mass: 2.1
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]+	128.14338	176.1
[M+Na]+	150.12532	177.6
[M+NH4]+	145.16992	177.4
[M+K]+	166.09926	176.0
[M-H]-	126.12882	176.4
[M+Na-2H]-	148.11077	176.2
[M]+	127.13555	176.4
[M]-	127.13665	176.4

Literature stripe

literature stripe

Patent stripe

patents stripe