CID 45181

1,9-nonanediamidine dihydrochloride

Structural Information

Molecular Formula

C₉H₂₀N₄

SMILES

C(CCCC(=N)N)CCCC(=N)N

InChI

InChI=1S/C9H20N4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H3,10,11)(H3,12,13)

InChIKey

VXVSKFUJWKPOTA-UHFFFAOYSA-N

Compound name

nonanediimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 184.1688 Da
Monoisotopic Mass: 0.4
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]+	185.176076	146.0
[M+Na]+	207.158018	148.7
[M-H]-	183.161524	144.7
[M+NH4]+	202.202623	163.7
[M+K]+	223.131958	146.8
[M+H-H2O]+	167.166060	139.2
[M+HCOO]-	229.167001	169.9
[M+CH3COO]-	243.182651	195.0
[M+Na-2H]-	205.143466	147.6
[M]+	184.16825142	140.3
[M]-	184.16934858	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe