CID 17332

1,6-hexanediamine, n,n'-dinitro-

Structural Information

Molecular Formula

C₆H₁₄N₄O₄

SMILES

C(CCCN[N+](=O)[O-])CCN[N+](=O)[O-]

InChI

InChI=1S/C6H14N4O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h7-8H,1-6H2

InChIKey

ABZIBDRGZUXVLS-UHFFFAOYSA-N

Compound name

N-(6-nitramidohexyl)nitramide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.1015 Da
Monoisotopic Mass: 2.2
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]+	207.10878	142.2
[M+Na]+	229.09072	145.6
[M-H]-	205.09422	142.0
[M+NH4]+	224.13532	199.3
[M+K]+	245.06466	137.3
[M+H-H2O]+	189.09876	144.8
[M+HCOO]-	251.09970	213.0
[M+CH3COO]-	265.11535	180.4
[M+Na-2H]-	227.07617	151.5
[M]+	206.10095	139.2
[M]-	206.10205	139.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.