CID 69534

1,9-diaminononane

Structural Information

Molecular Formula

C₉H₂₂N₂

SMILES

C(CCCCN)CCCCN

InChI

InChI=1S/C9H22N2/c10-8-6-4-2-1-3-5-7-9-11/h1-11H2

InChIKey

SXJVFQLYZSNZBT-UHFFFAOYSA-N

Compound name

nonane-1,9-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 39103
Patents: 158.1783 Da
Monoisotopic Mass: 1.8
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]+	159.18558	140.5
[M+Na]+	181.16752	144.7
[M-H]-	157.17102	139.0
[M+NH4]+	176.21212	160.4
[M+K]+	197.14146	142.9
[M+H-H2O]+	141.17556	134.6
[M+HCOO]-	203.17650	164.0
[M+CH3COO]-	217.19215	184.7
[M+Na-2H]-	179.15297	144.2
[M]+	158.17775	139.2
[M]-	158.17885	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe