CID 12092557

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

Structural Information

Molecular Formula
C6H5N3O2
SMILES
C1=COC(=C1)C2=NC(=NO2)N
InChI
InChI=1S/C6H5N3O2/c7-6-8-5(11-9-6)4-2-1-3-10-4/h1-3H,(H2,7,9)
InChIKey
ANLUPWJFEWKAJU-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)-1,2,4-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.03818 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.04546 123.9
[M+Na]+ 174.02740 134.8
[M-H]- 150.03090 130.1
[M+NH4]+ 169.07200 142.8
[M+K]+ 190.00134 135.5
[M+H-H2O]+ 134.03544 117.1
[M+HCOO]- 196.03638 150.2
[M+CH3COO]- 210.05203 139.5
[M+Na-2H]- 172.01285 132.0
[M]+ 151.03763 126.9
[M]- 151.03873 126.9
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

patents stripe