CID 2761144

4-[3-(thien-2-yl)-1,2,4-oxadiazol-5-yl]piperidine

Structural Information

Molecular Formula
C11H13N3OS
SMILES
C1CNCCC1C2=NC(=NO2)C3=CC=CS3
InChI
InChI=1S/C11H13N3OS/c1-2-9(16-7-1)10-13-11(15-14-10)8-3-5-12-6-4-8/h1-2,7-8,12H,3-6H2
InChIKey
XALUYQULRYNAPI-UHFFFAOYSA-N
Compound name
5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

235.07793 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08521 148.3
[M+Na]+ 258.06715 157.3
[M-H]- 234.07065 154.3
[M+NH4]+ 253.11175 164.3
[M+K]+ 274.04109 154.4
[M+H-H2O]+ 218.07519 140.8
[M+HCOO]- 280.07613 163.5
[M+CH3COO]- 294.09178 160.6
[M+Na-2H]- 256.05260 148.8
[M]+ 235.07738 147.5
[M]- 235.07848 147.5
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

patents stripe