CID 138039399

8-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-6-azaspiro[3.4]octane

Structural Information

Molecular Formula
C10H15N3O3
SMILES
COCC1=NOC(=N1)C2CNCC23COC3
InChI
InChI=1S/C10H15N3O3/c1-14-3-8-12-9(16-13-8)7-2-11-4-10(7)5-15-6-10/h7,11H,2-6H2,1H3
InChIKey
WTAVBQPCMGUCSB-UHFFFAOYSA-N
Compound name
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-7-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11134 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.118616 138.7
[M+Na]+ 248.100558 144.5
[M-H]- 224.104064 143.4
[M+NH4]+ 243.145163 148.7
[M+K]+ 264.074498 147.9
[M+H-H2O]+ 208.108600 127.4
[M+HCOO]- 270.109541 154.7
[M+CH3COO]- 284.125191 185.7
[M+Na-2H]- 246.086006 143.1
[M]+ 225.11079142 147.4
[M]- 225.11188858 147.4
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.