CID 165587363

2-(3,3-dimethoxycyclobutyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C8H12N2O3
SMILES
COC1(CC(C1)C2=NN=CO2)OC
InChI
InChI=1S/C8H12N2O3/c1-11-8(12-2)3-6(4-8)7-10-9-5-13-7/h5-6H,3-4H2,1-2H3
InChIKey
PMEXPOFYSULTEQ-UHFFFAOYSA-N
Compound name
2-(3,3-dimethoxycyclobutyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0848 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.092076 130.2
[M+Na]+ 207.074018 137.7
[M-H]- 183.077524 135.2
[M+NH4]+ 202.118623 143.4
[M+K]+ 223.047958 141.7
[M+H-H2O]+ 167.082060 119.3
[M+HCOO]- 229.083001 151.3
[M+CH3COO]- 243.098651 182.1
[M+Na-2H]- 205.059466 137.7
[M]+ 184.08425142 142.7
[M]- 184.08534858 142.7
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.