CID 54592609

1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine

Structural Information

Molecular Formula
C10H18N4O
SMILES
CCC1=NOC(=N1)C(C)N2CCNCC2
InChI
InChI=1S/C10H18N4O/c1-3-9-12-10(15-13-9)8(2)14-6-4-11-5-7-14/h8,11H,3-7H2,1-2H3
InChIKey
YKOUFZWBCNJRRJ-UHFFFAOYSA-N
Compound name
3-ethyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

210.14806 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.15534 150.6
[M+Na]+ 233.13728 156.1
[M-H]- 209.14078 150.3
[M+NH4]+ 228.18188 163.2
[M+K]+ 249.11122 154.4
[M+H-H2O]+ 193.14532 140.9
[M+HCOO]- 255.14626 164.1
[M+CH3COO]- 269.16191 183.6
[M+Na-2H]- 231.12273 152.8
[M]+ 210.14751 146.6
[M]- 210.14861 146.6
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

patents stripe