CID 202185

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

Structural Information

Molecular Formula
C6H5N3O2
SMILES
C1=COC(=C1)C2=NN=C(O2)N
InChI
InChI=1S/C6H5N3O2/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H,(H2,7,9)
InChIKey
RNARLYVZVOWYHW-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

58
Patents

151.03818 Da
Monoisotopic Mass

0.2
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

literature stripe

Patent stripe

patents stripe