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]+ 185.09208 130.2
[M+Na]+ 207.07402 137.7
[M-H]- 183.07752 135.2
[M+NH4]+ 202.11862 143.4
[M+K]+ 223.04796 141.7
[M+H-H2O]+ 167.08206 119.3
[M+HCOO]- 229.08300 151.3
[M+CH3COO]- 243.09865 182.1
[M+Na-2H]- 205.05947 137.7
[M]+ 184.08425 142.7
[M]- 184.08535 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.