CID 11008438

86520-52-7

Structural Information

Molecular Formula

C₆H₁₃N₃O₃

SMILES

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

InChI

InChI=1S/C6H13N3O3/c7-9-8-1-3-11-5-6-12-4-2-10/h10H,1-6H2

InChIKey

PMNIHDBMMDOUPD-UHFFFAOYSA-N

Compound name

2-[2-(2-azidoethoxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 741
Patents: 175.09569 Da
Monoisotopic Mass: 0.2
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]+	176.10297	135.0
[M+Na]+	198.08491	140.5
[M-H]-	174.08841	136.4
[M+NH4]+	193.12951	154.6
[M+K]+	214.05885	136.5
[M+H-H2O]+	158.09295	133.4
[M+HCOO]-	220.09389	164.9
[M+CH3COO]-	234.10954	180.5
[M+Na-2H]-	196.07036	145.1
[M]+	175.09514	136.6
[M]-	175.09624	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe