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 137.7
[M+Na]+ 213.04012 149.8
[M+NH4]+ 208.08472 145.0
[M+K]+ 229.01406 146.9
[M-H]- 189.04362 138.2
[M+Na-2H]- 211.02557 142.5
[M]+ 190.05035 139.8
[M]- 190.05145 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.