CID 146155630

2416236-89-8

Structural Information

Molecular Formula
C6H8ClN3O
SMILES
C1C(CN1)C2=NC(=NO2)CCl
InChI
InChI=1S/C6H8ClN3O/c7-1-5-9-6(11-10-5)4-2-8-3-4/h4,8H,1-3H2
InChIKey
GSKIJYDRAZJREP-UHFFFAOYSA-N
Compound name
5-(azetidin-3-yl)-3-(chloromethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.03558 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04286 125.6
[M+Na]+ 196.02480 133.7
[M-H]- 172.02830 127.1
[M+NH4]+ 191.06940 136.1
[M+K]+ 211.99874 134.1
[M+H-H2O]+ 156.03284 113.4
[M+HCOO]- 218.03378 139.4
[M+CH3COO]- 232.04943 176.7
[M+Na-2H]- 194.01025 131.7
[M]+ 173.03503 134.4
[M]- 173.03613 134.4
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

No patent data available for this compound.