CID 79202693

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

Structural Information

Molecular Formula
C7H11ClN2O2
SMILES
CC(C)(C1=NOC(=N1)CCl)OC
InChI
InChI=1S/C7H11ClN2O2/c1-7(2,11-3)6-9-5(4-8)12-10-6/h4H2,1-3H3
InChIKey
RZJDCSHBFYPUDE-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(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]+ 191.05818 138.2
[M+Na]+ 213.04012 148.4
[M-H]- 189.04362 140.1
[M+NH4]+ 208.08472 156.8
[M+K]+ 229.01406 147.4
[M+H-H2O]+ 173.04816 132.3
[M+HCOO]- 235.04910 154.7
[M+CH3COO]- 249.06475 180.1
[M+Na-2H]- 211.02557 145.3
[M]+ 190.05035 144.0
[M]- 190.05145 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.