CID 10911448

172531-37-2

Structural Information

Molecular Formula

C₈H₁₅N₃O₅

SMILES

C(COCCOCCOCC(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C8H15N3O5/c9-11-10-1-2-14-3-4-15-5-6-16-7-8(12)13/h1-7H2,(H,12,13)

InChIKey

GIXBCECBLAEYKA-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 200
Patents: 233.10117 Da
Monoisotopic Mass: 0.3
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]+	234.10845	149.6
[M+Na]+	256.09039	157.1
[M+NH4]+	251.13499	154.5
[M+K]+	272.06433	155.0
[M-H]-	232.09389	149.5
[M+Na-2H]-	254.07584	151.4
[M]+	233.10062	149.9
[M]-	233.10172	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe