CID 16227534

4-[5-(3-chloropropyl)-1,2,4-oxadiazol-3-yl]pyridine

Structural Information

Molecular Formula
C10H10ClN3O
SMILES
C1=CN=CC=C1C2=NOC(=N2)CCCCl
InChI
InChI=1S/C10H10ClN3O/c11-5-1-2-9-13-10(14-15-9)8-3-6-12-7-4-8/h3-4,6-7H,1-2,5H2
InChIKey
HOTOPFAPFWODNY-UHFFFAOYSA-N
Compound name
5-(3-chloropropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.05124 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05852 146.0
[M+Na]+ 246.04046 161.2
[M+NH4]+ 241.08506 154.0
[M+K]+ 262.01440 155.6
[M-H]- 222.04396 149.5
[M+Na-2H]- 244.02591 154.3
[M]+ 223.05069 149.5
[M]- 223.05179 149.5
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

No patent data available for this compound.