CID 65334355

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

Structural Information

Molecular Formula
C7H11N3O2
SMILES
C1COCCC1C2=NOC(=N2)N
InChI
InChI=1S/C7H11N3O2/c8-7-9-6(10-12-7)5-1-3-11-4-2-5/h5H,1-4H2,(H2,8,9,10)
InChIKey
XIGMUFNVTHALGM-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)-1,2,4-oxadiazol-5-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]+ 170.09241 134.4
[M+Na]+ 192.07435 141.0
[M-H]- 168.07785 138.8
[M+NH4]+ 187.11895 150.3
[M+K]+ 208.04829 141.7
[M+H-H2O]+ 152.08239 126.5
[M+HCOO]- 214.08333 153.8
[M+CH3COO]- 228.09898 147.1
[M+Na-2H]- 190.05980 140.5
[M]+ 169.08458 131.2
[M]- 169.08568 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.