CID 50988209

1258641-02-9

Structural Information

Molecular Formula
C9H15N3O
SMILES
CCC1=NC(=NO1)C2CCCCN2
InChI
InChI=1S/C9H15N3O/c1-2-8-11-9(12-13-8)7-5-3-4-6-10-7/h7,10H,2-6H2,1H3
InChIKey
JTINBOGNUWUGGZ-UHFFFAOYSA-N
Compound name
5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.128776 140.9
[M+Na]+ 204.110718 147.1
[M-H]- 180.114224 142.1
[M+NH4]+ 199.155323 156.3
[M+K]+ 220.084658 145.5
[M+H-H2O]+ 164.118760 132.3
[M+HCOO]- 226.119701 157.2
[M+CH3COO]- 240.135351 152.2
[M+Na-2H]- 202.096166 145.1
[M]+ 181.12095142 136.8
[M]- 181.12204858 136.8
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.