CID 80484186

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

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
C1CC1CC2=NOC(=N2)CCl
InChI
InChI=1S/C7H9ClN2O/c8-4-7-9-6(10-11-7)3-5-1-2-5/h5H,1-4H2
InChIKey
YLYSRTMJIFDRKZ-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

172.04034 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04762 136.7
[M+Na]+ 195.02956 148.1
[M-H]- 171.03306 141.9
[M+NH4]+ 190.07416 150.9
[M+K]+ 211.00350 145.1
[M+H-H2O]+ 155.03760 129.2
[M+HCOO]- 217.03854 154.7
[M+CH3COO]- 231.05419 150.2
[M+Na-2H]- 193.01501 142.8
[M]+ 172.03979 142.3
[M]- 172.04089 142.3
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