CID 51889586

2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
C1CC(C1)C2=NN=C(O2)CCl
InChI
InChI=1S/C7H9ClN2O/c8-4-6-9-10-7(11-6)5-2-1-3-5/h5H,1-4H2
InChIKey
LZCRVMSETJTUOP-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

172.04034 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.047616 124.1
[M+Na]+ 195.029558 132.4
[M-H]- 171.033064 128.4
[M+NH4]+ 190.074163 136.8
[M+K]+ 211.003498 133.5
[M+H-H2O]+ 155.037600 112.8
[M+HCOO]- 217.038541 140.5
[M+CH3COO]- 231.054191 179.4
[M+Na-2H]- 193.015006 130.6
[M]+ 172.03979142 134.8
[M]- 172.04088858 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

patents stripe