CID 3067252

5-(1,3-benzodioxol-5-yl)-n-methyl-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C10H9N3O3
SMILES
CNC1=NN=C(O1)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C10H9N3O3/c1-11-10-13-12-9(16-10)6-2-3-7-8(4-6)15-5-14-7/h2-4H,5H2,1H3,(H,11,13)
InChIKey
JGBWDWIUCBBUHN-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06439 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.071666 143.4
[M+Na]+ 242.053608 153.1
[M-H]- 218.057114 151.1
[M+NH4]+ 237.098213 159.4
[M+K]+ 258.027548 154.0
[M+H-H2O]+ 202.061650 136.9
[M+HCOO]- 264.062591 165.2
[M+CH3COO]- 278.078241 157.4
[M+Na-2H]- 240.039056 150.7
[M]+ 219.06384142 147.3
[M]- 219.06493858 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.