CID 14834350

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

Structural Information

Molecular Formula
C8H11ClN2O
SMILES
C1CCC(C1)C2=NOC(=N2)CCl
InChI
InChI=1S/C8H11ClN2O/c9-5-7-10-8(11-12-7)6-3-1-2-4-6/h6H,1-5H2
InChIKey
SEEFYWJCIAOHGP-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-cyclopentyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

186.05598 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06326 139.0
[M+Na]+ 209.04520 147.5
[M-H]- 185.04870 143.2
[M+NH4]+ 204.08980 158.8
[M+K]+ 225.01914 145.6
[M+H-H2O]+ 169.05324 131.9
[M+HCOO]- 231.05418 155.8
[M+CH3COO]- 245.06983 152.3
[M+Na-2H]- 207.03065 142.1
[M]+ 186.05543 139.7
[M]- 186.05653 139.7
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