CID 3068789

83805-44-1

Structural Information

Molecular Formula
C11H9N3O4
SMILES
CC(=O)NC1=NN=C(O1)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H9N3O4/c1-6(15)12-11-14-13-10(18-11)7-2-3-8-9(4-7)17-5-16-8/h2-4H,5H2,1H3,(H,12,14,15)
InChIKey
ABEDTIBSDLMYFY-UHFFFAOYSA-N
Compound name
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.05931 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06659 151.2
[M+Na]+ 270.04853 160.2
[M-H]- 246.05203 158.9
[M+NH4]+ 265.09313 165.8
[M+K]+ 286.02247 161.5
[M+H-H2O]+ 230.05657 144.6
[M+HCOO]- 292.05751 172.0
[M+CH3COO]- 306.07316 164.5
[M+Na-2H]- 268.03398 156.9
[M]+ 247.05876 155.5
[M]- 247.05986 155.5
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.