CID 79608881

4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidine

Structural Information

Molecular Formula
C12H21N3O
SMILES
CC(C)(C)C1=NOC(=N1)CC2CCNCC2
InChI
InChI=1S/C12H21N3O/c1-12(2,3)11-14-10(16-15-11)8-9-4-6-13-7-5-9/h9,13H,4-8H2,1-3H3
InChIKey
NOUDZKYZMYEPET-UHFFFAOYSA-N
Compound name
3-tert-butyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.16846 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.17574 155.3
[M+Na]+ 246.15768 160.7
[M-H]- 222.16118 156.4
[M+NH4]+ 241.20228 169.1
[M+K]+ 262.13162 158.7
[M+H-H2O]+ 206.16572 146.9
[M+HCOO]- 268.16666 168.9
[M+CH3COO]- 282.18231 185.4
[M+Na-2H]- 244.14313 158.7
[M]+ 223.16791 151.6
[M]- 223.16901 151.6
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.