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]+ 248.066586 151.2
[M+Na]+ 270.048528 160.2
[M-H]- 246.052034 158.9
[M+NH4]+ 265.093133 165.8
[M+K]+ 286.022468 161.5
[M+H-H2O]+ 230.056570 144.6
[M+HCOO]- 292.057511 172.0
[M+CH3COO]- 306.073161 164.5
[M+Na-2H]- 268.033976 156.9
[M]+ 247.05876142 155.5
[M]- 247.05985858 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.