CID 46911972

5-chloro-3-cyclobutyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
C1CC(C1)C2=NOC(=N2)Cl
InChI
InChI=1S/C6H7ClN2O/c7-6-8-5(9-10-6)4-2-1-3-4/h4H,1-3H2
InChIKey
RNFHPOIOKPCTNQ-UHFFFAOYSA-N
Compound name
5-chloro-3-cyclobutyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

158.02469 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.031966 119.3
[M+Na]+ 181.013908 128.0
[M-H]- 157.017414 123.8
[M+NH4]+ 176.058513 132.6
[M+K]+ 196.987848 129.4
[M+H-H2O]+ 141.021950 108.3
[M+HCOO]- 203.022891 136.1
[M+CH3COO]- 217.038541 176.5
[M+Na-2H]- 178.999356 126.4
[M]+ 158.02414142 129.7
[M]- 158.02523858 129.7
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

patents stripe