CID 16778762

2-tert-butyl-5-(chloromethyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C7H11ClN2O
SMILES
CC(C)(C)C1=NN=C(O1)CCl
InChI
InChI=1S/C7H11ClN2O/c1-7(2,3)6-10-9-5(4-8)11-6/h4H2,1-3H3
InChIKey
QIITUCORMJJTAC-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-(chloromethyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

174.05598 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06326 135.0
[M+Na]+ 197.04520 147.7
[M+NH4]+ 192.08980 142.9
[M+K]+ 213.01914 144.2
[M-H]- 173.04870 136.1
[M+Na-2H]- 195.03065 140.3
[M]+ 174.05543 137.4
[M]- 174.05653 137.4
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