CID 127300589

5-cyclopentyl-3-ethyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C9H14N2O
SMILES
CCC1=NOC(=N1)C2CCCC2
InChI
InChI=1S/C9H14N2O/c1-2-8-10-9(12-11-8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKey
JFUUEGVSQBPYMP-UHFFFAOYSA-N
Compound name
5-cyclopentyl-3-ethyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 135.3
[M+Na]+ 189.09983 142.7
[M-H]- 165.10333 139.7
[M+NH4]+ 184.14443 155.2
[M+K]+ 205.07377 142.5
[M+H-H2O]+ 149.10787 128.0
[M+HCOO]- 211.10881 156.6
[M+CH3COO]- 225.12446 176.5
[M+Na-2H]- 187.08528 138.7
[M]+ 166.11006 134.7
[M]- 166.11116 134.7
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.