CID 19764164

5-(1-chloroethyl)-3-(propan-2-yl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C7H11ClN2O
SMILES
CC(C)C1=NOC(=N1)C(C)Cl
InChI
InChI=1S/C7H11ClN2O/c1-4(2)6-9-7(5(3)8)11-10-6/h4-5H,1-3H3
InChIKey
UPWCEHOTWIZDPS-UHFFFAOYSA-N
Compound name
5-(1-chloroethyl)-3-propan-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

174.05598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06326 134.6
[M+Na]+ 197.04520 146.9
[M+NH4]+ 192.08980 142.5
[M+K]+ 213.01914 143.8
[M-H]- 173.04870 135.8
[M+Na-2H]- 195.03065 139.3
[M]+ 174.05543 136.9
[M]- 174.05653 136.9
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