CID 16768120

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

Structural Information

Molecular Formula
C8H9N3O2
SMILES
CC1=CC(=C(O1)C)C2=NN=C(O2)N
InChI
InChI=1S/C8H9N3O2/c1-4-3-6(5(2)12-4)7-10-11-8(9)13-7/h3H,1-2H3,(H2,9,11)
InChIKey
YAKHQTKBLTVDPB-UHFFFAOYSA-N
Compound name
5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06947 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.076746 134.3
[M+Na]+ 202.058688 146.2
[M-H]- 178.062194 141.0
[M+NH4]+ 197.103293 152.7
[M+K]+ 218.032628 146.2
[M+H-H2O]+ 162.066730 127.8
[M+HCOO]- 224.067671 159.9
[M+CH3COO]- 238.083321 149.7
[M+Na-2H]- 200.044136 139.9
[M]+ 179.06892142 138.8
[M]- 179.07001858 138.8
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.