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: 181
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]+	245.13567	175.3
[M+Na]+	267.11761	179.7
[M+NH4]+	262.16221	182.5
[M+K]+	283.09155	188.5
[M-H]-	243.12111	169.2
[M+Na-2H]-	265.10306	170.8
[M]+	244.12784	175.7
[M]-	244.12894	175.7

Literature stripe

literature stripe

Patent stripe

patents stripe