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]+ 180.07675 134.3
[M+Na]+ 202.05869 146.2
[M-H]- 178.06219 141.0
[M+NH4]+ 197.10329 152.7
[M+K]+ 218.03263 146.2
[M+H-H2O]+ 162.06673 127.8
[M+HCOO]- 224.06767 159.9
[M+CH3COO]- 238.08332 149.7
[M+Na-2H]- 200.04414 139.9
[M]+ 179.06892 138.8
[M]- 179.07002 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.