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]+ 173.047616 136.2
[M+Na]+ 195.029558 147.3
[M-H]- 171.033064 141.6
[M+NH4]+ 190.074163 150.3
[M+K]+ 211.003498 144.6
[M+H-H2O]+ 155.037600 128.8
[M+HCOO]- 217.038541 153.3
[M+CH3COO]- 231.054191 180.5
[M+Na-2H]- 193.015006 141.2
[M]+ 172.03979142 141.2
[M]- 172.04088858 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.