CID 53415054

1221278-57-4

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
C1CC(C1)C2=NOC(=N2)CCl
InChI
InChI=1S/C7H9ClN2O/c8-4-6-9-7(10-11-6)5-2-1-3-5/h5H,1-4H2
InChIKey
BCCZZVBQASSARF-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-cyclobutyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.04034 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04762 124.1
[M+Na]+ 195.02956 132.4
[M-H]- 171.03306 128.4
[M+NH4]+ 190.07416 136.8
[M+K]+ 211.00350 133.5
[M+H-H2O]+ 155.03760 112.8
[M+HCOO]- 217.03854 140.5
[M+CH3COO]- 231.05419 179.4
[M+Na-2H]- 193.01501 130.6
[M]+ 172.03979 134.8
[M]- 172.04089 134.8
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.