CID 16227556

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

Structural Information

Molecular Formula
C10H10ClN3O
SMILES
C1=CC(=CN=C1)C2=NOC(=N2)CCCCl
InChI
InChI=1S/C10H10ClN3O/c11-5-1-4-9-13-10(14-15-9)8-3-2-6-12-7-8/h2-3,6-7H,1,4-5H2
InChIKey
IJXBHAVLUOGLIR-UHFFFAOYSA-N
Compound name
5-(3-chloropropyl)-3-pyridin-3-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]+ 224.058516 145.9
[M+Na]+ 246.040458 155.8
[M-H]- 222.043964 149.0
[M+NH4]+ 241.085063 161.2
[M+K]+ 262.014398 152.4
[M+H-H2O]+ 206.048500 136.9
[M+HCOO]- 268.049441 162.7
[M+CH3COO]- 282.065091 158.6
[M+Na-2H]- 244.025906 152.5
[M]+ 223.05069142 149.9
[M]- 223.05178858 149.9
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.