CID 77406

3775-55-1

Structural Information

Molecular Formula

C₆H₄N₄O₄

SMILES

C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(O2)N

InChI

InChI=1S/C6H4N4O4/c7-6-9-8-5(14-6)3-1-2-4(13-3)10(11)12/h1-2H,(H2,7,9)

InChIKey

VTWQUFUBSCXPOW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 196.02325 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]+	197.03053	133.5
[M+Na]+	219.01247	143.2
[M-H]-	195.01597	140.3
[M+NH4]+	214.05707	149.5
[M+K]+	234.98641	139.8
[M+H-H2O]+	179.02051	130.9
[M+HCOO]-	241.02145	160.6
[M+CH3COO]-	255.03710	175.7
[M+Na-2H]-	216.99792	143.2
[M]+	196.02270	135.1
[M]-	196.02380	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe