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]+ 220.07167 143.4
[M+Na]+ 242.05361 153.1
[M-H]- 218.05711 151.1
[M+NH4]+ 237.09821 159.4
[M+K]+ 258.02755 154.0
[M+H-H2O]+ 202.06165 136.9
[M+HCOO]- 264.06259 165.2
[M+CH3COO]- 278.07824 157.4
[M+Na-2H]- 240.03906 150.7
[M]+ 219.06384 147.3
[M]- 219.06494 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.