CID 28938024

1039933-90-8

Structural Information

Molecular Formula
C10H9N3O3
SMILES
C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)N
InChI
InChI=1S/C10H9N3O3/c11-10-13-12-9(16-10)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5H,3-4H2,(H2,11,13)
InChIKey
OGKQGHXOQYDRAM-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

219.06439 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.071666 145.1
[M+Na]+ 242.053608 154.1
[M-H]- 218.057114 151.8
[M+NH4]+ 237.098213 158.9
[M+K]+ 258.027548 154.5
[M+H-H2O]+ 202.061650 137.3
[M+HCOO]- 264.062591 164.0
[M+CH3COO]- 278.078241 158.1
[M+Na-2H]- 240.039056 153.1
[M]+ 219.06384142 145.8
[M]- 219.06493858 145.8
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

No patent data available for this compound.