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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03053 133.5
[M+Na]+ 219.01247 145.8
[M+NH4]+ 214.05707 139.9
[M+K]+ 234.98641 149.4
[M-H]- 195.01597 138.7
[M+Na-2H]- 216.99792 139.2
[M]+ 196.02270 136.4
[M]- 196.02380 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe