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]+ 252.170656 159.7
[M+Na]+ 274.152598 162.3
[M-H]- 250.156104 163.3
[M+NH4]+ 269.197203 169.8
[M+K]+ 290.126538 160.9
[M+H-H2O]+ 234.160640 149.4
[M+HCOO]- 296.161581 170.7
[M+CH3COO]- 310.177231 168.3
[M+Na-2H]- 272.138046 161.2
[M]+ 251.16283142 152.0
[M]- 251.16392858 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.