CID 3067251

80987-71-9

Structural Information

Molecular Formula
C9H7N3O3
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)N
InChI
InChI=1S/C9H7N3O3/c10-9-12-11-8(15-9)5-1-2-6-7(3-5)14-4-13-6/h1-3H,4H2,(H2,10,12)
InChIKey
RDYBBDXAHGPAOB-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

205.04874 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.056016 139.0
[M+Na]+ 228.037958 149.1
[M-H]- 204.041464 146.4
[M+NH4]+ 223.082563 155.3
[M+K]+ 244.011898 150.0
[M+H-H2O]+ 188.046000 132.7
[M+HCOO]- 250.046941 160.5
[M+CH3COO]- 264.062591 153.2
[M+Na-2H]- 226.023406 145.9
[M]+ 205.04819142 141.7
[M]- 205.04928858 141.7
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