CID 16227917

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

Structural Information

Molecular Formula
C6H9ClN2O
SMILES
CCCC1=NOC(=N1)CCl
InChI
InChI=1S/C6H9ClN2O/c1-2-3-5-8-6(4-7)10-9-5/h2-4H2,1H3
InChIKey
GBSUHSDLMMIZEP-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-propyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 129.7
[M+Na]+ 183.02956 142.8
[M+NH4]+ 178.07416 137.9
[M+K]+ 199.00350 138.4
[M-H]- 159.03306 131.3
[M+Na-2H]- 181.01501 135.3
[M]+ 160.03979 132.2
[M]- 160.04089 132.2
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

patents stripe