CID 50988080

3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine hydrochloride

Structural Information

Molecular Formula
C10H17N3O
SMILES
CC(C)C1=NC(=NO1)C2CCCNC2
InChI
InChI=1S/C10H17N3O/c1-7(2)10-12-9(13-14-10)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3
InChIKey
QHRQWYQHLSLMOO-UHFFFAOYSA-N
Compound name
3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

195.13716 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.144436 145.9
[M+Na]+ 218.126378 151.4
[M-H]- 194.129884 147.0
[M+NH4]+ 213.170983 160.6
[M+K]+ 234.100318 149.9
[M+H-H2O]+ 178.134420 137.1
[M+HCOO]- 240.135361 160.8
[M+CH3COO]- 254.151011 180.6
[M+Na-2H]- 216.111826 148.4
[M]+ 195.13661142 141.4
[M]- 195.13770858 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.