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

2
Patents

151.03818 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.045456 123.9
[M+Na]+ 174.027398 134.8
[M-H]- 150.030904 130.1
[M+NH4]+ 169.072003 142.8
[M+K]+ 190.001338 135.5
[M+H-H2O]+ 134.035440 117.1
[M+HCOO]- 196.036381 150.2
[M+CH3COO]- 210.052031 139.5
[M+Na-2H]- 172.012846 132.0
[M]+ 151.03763142 126.9
[M]- 151.03872858 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