CID 43113902

5-(1-chloroethyl)-3-cyclopropyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
CC(C1=NC(=NO1)C2CC2)Cl
InChI
InChI=1S/C7H9ClN2O/c1-4(8)7-9-6(10-11-7)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
CPBXBALGEBUGLL-UHFFFAOYSA-N
Compound name
5-(1-chloroethyl)-3-cyclopropyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.04034 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04762 136.2
[M+Na]+ 195.02956 147.3
[M-H]- 171.03306 141.6
[M+NH4]+ 190.07416 150.3
[M+K]+ 211.00350 144.6
[M+H-H2O]+ 155.03760 128.8
[M+HCOO]- 217.03854 153.3
[M+CH3COO]- 231.05419 180.5
[M+Na-2H]- 193.01501 141.2
[M]+ 172.03979 141.2
[M]- 172.04089 141.2
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.