CID 29893201

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

Structural Information

Molecular Formula
C6H9ClN2O2
SMILES
COCCC1=NOC(=N1)CCl
InChI
InChI=1S/C6H9ClN2O2/c1-10-3-2-5-8-6(4-7)11-9-5/h2-4H2,1H3
InChIKey
DGRUCCSICIDDGX-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.03525 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04253 132.7
[M+Na]+ 199.02447 142.9
[M-H]- 175.02797 134.2
[M+NH4]+ 194.06907 151.7
[M+K]+ 214.99841 141.8
[M+H-H2O]+ 159.03251 126.3
[M+HCOO]- 221.03345 151.1
[M+CH3COO]- 235.04910 176.7
[M+Na-2H]- 197.00992 139.6
[M]+ 176.03470 138.6
[M]- 176.03580 138.6
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

No patent data available for this compound.