CID 252601

Nonanediamide

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

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

InChI

InChI=1S/C9H18N2O2/c10-8(12)6-4-2-1-3-5-7-9(11)13/h1-7H2,(H2,10,12)(H2,11,13)

InChIKey

FJXWKBZRTWEWBJ-UHFFFAOYSA-N

Compound name

nonanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3403
Patents: 186.13683 Da
Monoisotopic Mass: 0.3
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]+	187.144106	145.4
[M+Na]+	209.126048	149.7
[M-H]-	185.129554	144.0
[M+NH4]+	204.170653	163.8
[M+K]+	225.099988	148.5
[M+H-H2O]+	169.134090	139.3
[M+HCOO]-	231.135031	167.8
[M+CH3COO]-	245.150681	188.6
[M+Na-2H]-	207.111496	146.5
[M]+	186.13628142	144.2
[M]-	186.13737858	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe