CID 20120719

5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C10H9N3O3
SMILES
C1C(OC2=CC=CC=C2O1)C3=NN=C(O3)N
InChI
InChI=1S/C10H9N3O3/c11-10-13-12-9(16-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,13)
InChIKey
RCXFDMQIMKOVCS-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-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

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07167 145.1
[M+Na]+ 242.05361 154.1
[M-H]- 218.05711 151.8
[M+NH4]+ 237.09821 158.9
[M+K]+ 258.02755 154.5
[M+H-H2O]+ 202.06165 137.3
[M+HCOO]- 264.06259 164.0
[M+CH3COO]- 278.07824 158.1
[M+Na-2H]- 240.03906 153.1
[M]+ 219.06384 145.8
[M]- 219.06494 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.