CID 5284340

28754-68-9

Structural Information

Molecular Formula
C8H6N4O4
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=C/C2=NOC(=N2)N
InChI
InChI=1S/C8H6N4O4/c9-8-10-6(11-16-8)3-1-5-2-4-7(15-5)12(13)14/h1-4H,(H2,9,10,11)/b3-1+
InChIKey
RMZNNIOKNRDECR-HNQUOIGGSA-N
Compound name
3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

7
Patents

222.03891 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04619 143.0
[M+Na]+ 245.02813 152.2
[M-H]- 221.03163 149.5
[M+NH4]+ 240.07273 158.0
[M+K]+ 261.00207 147.8
[M+H-H2O]+ 205.03617 140.1
[M+HCOO]- 267.03711 169.6
[M+CH3COO]- 281.05276 180.1
[M+Na-2H]- 243.01358 151.6
[M]+ 222.03836 144.5
[M]- 222.03946 144.5
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