CID 103020794

3-(chloromethyl)-5-(2-methoxypropan-2-yl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C7H11ClN2O2
SMILES
CC(C)(C1=NC(=NO1)CCl)OC
InChI
InChI=1S/C7H11ClN2O2/c1-7(2,11-3)6-9-5(4-8)10-12-6/h4H2,1-3H3
InChIKey
JCQZESDMBKTRGP-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0509 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.058176 138.2
[M+Na]+ 213.040118 148.4
[M-H]- 189.043624 140.1
[M+NH4]+ 208.084723 156.8
[M+K]+ 229.014058 147.4
[M+H-H2O]+ 173.048160 132.3
[M+HCOO]- 235.049101 154.7
[M+CH3COO]- 249.064751 180.1
[M+Na-2H]- 211.025566 145.3
[M]+ 190.05035142 144.0
[M]- 190.05144858 144.0
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.