CID 62904945

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

Structural Information

Molecular Formula
C7H11N3O2
SMILES
C1COCCC1C2=NN=C(O2)N
InChI
InChI=1S/C7H11N3O2/c8-7-10-9-6(12-7)5-1-3-11-4-2-5/h5H,1-4H2,(H2,8,10)
InChIKey
YNAFGJZHFNVPGB-UHFFFAOYSA-N
Compound name
5-(oxan-4-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.08513 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.092406 134.4
[M+Na]+ 192.074348 141.0
[M-H]- 168.077854 138.8
[M+NH4]+ 187.118953 150.3
[M+K]+ 208.048288 141.7
[M+H-H2O]+ 152.082390 126.5
[M+HCOO]- 214.083331 153.8
[M+CH3COO]- 228.098981 147.1
[M+Na-2H]- 190.059796 140.5
[M]+ 169.08458142 131.2
[M]- 169.08567858 131.2
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.