CID 3067251

80987-71-9

Structural Information

Molecular Formula

C₉H₇N₃O₃

SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)N

InChI

InChI=1S/C9H7N3O3/c10-9-12-11-8(15-9)5-1-2-6-7(3-5)14-4-13-6/h1-3H,4H2,(H2,10,12)

InChIKey

RDYBBDXAHGPAOB-UHFFFAOYSA-N

Compound name

5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2
Patents: 205.04874 Da
Monoisotopic Mass: 0.9
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]+	206.05602	139.8
[M+Na]+	228.03796	152.3
[M+NH4]+	223.08256	147.5
[M+K]+	244.01190	152.3
[M-H]-	204.04146	146.1
[M+Na-2H]-	226.02341	144.4
[M]+	205.04819	143.2
[M]-	205.04929	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe