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 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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.