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

5
Patents

186.05598 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.063256 139.0
[M+Na]+ 209.045198 147.5
[M-H]- 185.048704 143.2
[M+NH4]+ 204.089803 158.8
[M+K]+ 225.019138 145.6
[M+H-H2O]+ 169.053240 131.9
[M+HCOO]- 231.054181 155.8
[M+CH3COO]- 245.069831 152.3
[M+Na-2H]- 207.030646 142.1
[M]+ 186.05543142 139.7
[M]- 186.05652858 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