CID 10845705

59559-06-7

Structural Information

Molecular Formula

C₆H₁₂N₆O₂

SMILES

C(COCCOCCN=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C6H12N6O2/c7-11-9-1-3-13-5-6-14-4-2-10-12-8/h1-6H2

InChIKey

OHZGAFKSAANFAS-UHFFFAOYSA-N

Compound name

1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 107
Patents: 200.10217 Da
Monoisotopic Mass: 1.7
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]+	201.109446	140.2
[M+Na]+	223.091388	144.5
[M-H]-	199.094894	145.1
[M+NH4]+	218.135993	230.1
[M+K]+	239.065328	137.0
[M+H-H2O]+	183.099430	141.2
[M+HCOO]-	245.100371	249.1
[M+CH3COO]-	259.116021	193.1
[M+Na-2H]-	221.076836	153.4
[M]+	200.10162142	139.7
[M]-	200.10271858	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe