CID 19764151

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

Structural Information

Molecular Formula
C6H9ClN2O
SMILES
CCC1=NOC(=N1)C(C)Cl
InChI
InChI=1S/C6H9ClN2O/c1-3-5-8-6(4(2)7)10-9-5/h4H,3H2,1-2H3
InChIKey
BWOGFLPPYSALHT-UHFFFAOYSA-N
Compound name
5-(1-chloroethyl)-3-ethyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

160.04034 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04762 130.4
[M+Na]+ 183.02956 140.4
[M-H]- 159.03306 132.1
[M+NH4]+ 178.07416 150.1
[M+K]+ 199.00350 139.2
[M+H-H2O]+ 143.03760 124.3
[M+HCOO]- 205.03854 147.5
[M+CH3COO]- 219.05419 175.6
[M+Na-2H]- 181.01501 136.0
[M]+ 160.03979 134.3
[M]- 160.04089 134.3
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