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

9
Patents

158.02469 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03197 119.3
[M+Na]+ 181.01391 128.0
[M-H]- 157.01741 123.8
[M+NH4]+ 176.05851 132.6
[M+K]+ 196.98785 129.4
[M+H-H2O]+ 141.02195 108.3
[M+HCOO]- 203.02289 136.1
[M+CH3COO]- 217.03854 176.5
[M+Na-2H]- 178.99936 126.4
[M]+ 158.02414 129.7
[M]- 158.02524 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