CID 15924311

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

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
C1CC1C2=NOC(=N2)CCl
InChI
InChI=1S/C6H7ClN2O/c7-3-5-8-6(9-10-5)4-1-2-4/h4H,1-3H2
InChIKey
YWRZTXKBYCOPMY-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

158.02469 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.031966 132.4
[M+Na]+ 181.013908 144.2
[M-H]- 157.017414 137.8
[M+NH4]+ 176.058513 147.1
[M+K]+ 196.987848 141.4
[M+H-H2O]+ 141.021950 125.0
[M+HCOO]- 203.022891 150.7
[M+CH3COO]- 217.038541 146.3
[M+Na-2H]- 178.999356 139.0
[M]+ 158.02414142 137.6
[M]- 158.02523858 137.6
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