CID 25219243

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

Structural Information

Molecular Formula
C5H7ClN2O2
SMILES
COCC1=NOC(=N1)CCl
InChI
InChI=1S/C5H7ClN2O2/c1-9-3-4-7-5(2-6)10-8-4/h2-3H2,1H3
InChIKey
VLXVPDOWMACDNZ-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

162.0196 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.02688 128.1
[M+Na]+ 185.00882 140.9
[M+NH4]+ 180.05342 135.9
[M+K]+ 200.98276 137.3
[M-H]- 161.01232 129.2
[M+Na-2H]- 182.99427 133.5
[M]+ 162.01905 130.4
[M]- 162.02015 130.4
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

patents stripe