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]+ 224.175736 155.3
[M+Na]+ 246.157678 160.7
[M-H]- 222.161184 156.4
[M+NH4]+ 241.202283 169.1
[M+K]+ 262.131618 158.7
[M+H-H2O]+ 206.165720 146.9
[M+HCOO]- 268.166661 168.9
[M+CH3COO]- 282.182311 185.4
[M+Na-2H]- 244.143126 158.7
[M]+ 223.16791142 151.6
[M]- 223.16900858 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.