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

2
Patents

172.04034 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.047616 136.7
[M+Na]+ 195.029558 148.1
[M-H]- 171.033064 141.9
[M+NH4]+ 190.074163 150.9
[M+K]+ 211.003498 145.1
[M+H-H2O]+ 155.037600 129.2
[M+HCOO]- 217.038541 154.7
[M+CH3COO]- 231.054191 150.2
[M+Na-2H]- 193.015006 142.8
[M]+ 172.03979142 142.3
[M]- 172.04088858 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