CID 119031052

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidine hydrochloride

Structural Information

Molecular Formula
C11H17N3O2
SMILES
COC1(CCNCC1)C2=NC(=NO2)C3CC3
InChI
InChI=1S/C11H17N3O2/c1-15-11(4-6-12-7-5-11)10-13-9(14-16-10)8-2-3-8/h8,12H,2-7H2,1H3
InChIKey
VRJNQQJXXXFDKW-UHFFFAOYSA-N
Compound name
3-cyclopropyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13208 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 156.4
[M+Na]+ 246.12130 164.5
[M-H]- 222.12480 161.5
[M+NH4]+ 241.16590 167.1
[M+K]+ 262.09524 162.5
[M+H-H2O]+ 206.12934 147.8
[M+HCOO]- 268.13028 172.3
[M+CH3COO]- 282.14593 166.9
[M+Na-2H]- 244.10675 160.3
[M]+ 223.13153 155.8
[M]- 223.13263 155.8
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.