CID 79609179

2094228-64-3

Structural Information

Molecular Formula
C13H21N3O2
SMILES
C1CNCCC1CC2=NC(=NO2)C3CCOCC3
InChI
InChI=1S/C13H21N3O2/c1-5-14-6-2-10(1)9-12-15-13(16-18-12)11-3-7-17-8-4-11/h10-11,14H,1-9H2
InChIKey
DVWQJPDCZWNEBP-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.16338 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17066 159.7
[M+Na]+ 274.15260 162.3
[M-H]- 250.15610 163.3
[M+NH4]+ 269.19720 169.8
[M+K]+ 290.12654 160.9
[M+H-H2O]+ 234.16064 149.4
[M+HCOO]- 296.16158 170.7
[M+CH3COO]- 310.17723 168.3
[M+Na-2H]- 272.13805 161.2
[M]+ 251.16283 152.0
[M]- 251.16393 152.0
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.