CID 4157492

101187-39-7

Structural Information

Molecular Formula

C₈H₁₆N₆O₃

SMILES

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

InChI

InChI=1S/C8H16N6O3/c9-13-11-1-3-15-5-7-17-8-6-16-4-2-12-14-10/h1-8H2

InChIKey

SFMMXKLNFMIUCH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 173
Patents: 244.12839 Da
Monoisotopic Mass: 1.6
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]+	245.135666	151.7
[M+Na]+	267.117608	155.1
[M-H]-	243.121114	236.9
[M+NH4]+	262.162213	237.7
[M+K]+	283.091548	147.4
[M+H-H2O]+	227.125650	152.1
[M+HCOO]-	289.126591	255.4
[M+CH3COO]-	303.142241	201.0
[M+Na-2H]-	265.103056	164.3
[M]+	244.12784142	224.6
[M]-	244.12893858	224.6

Literature stripe

literature stripe

Patent stripe

patents stripe