CID 259109

2-ethoxy-5-methyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C5H8N2O2
SMILES
CCOC1=NN=C(O1)C
InChI
InChI=1S/C5H8N2O2/c1-3-8-5-7-6-4(2)9-5/h3H2,1-2H3
InChIKey
BNKYAYHQGDYBKS-UHFFFAOYSA-N
Compound name
2-ethoxy-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06586 121.7
[M+Na]+ 151.04780 131.7
[M-H]- 127.05130 123.7
[M+NH4]+ 146.09240 141.9
[M+K]+ 167.02174 132.8
[M+H-H2O]+ 111.05584 115.2
[M+HCOO]- 173.05678 145.2
[M+CH3COO]- 187.07243 169.8
[M+Na-2H]- 149.03325 129.7
[M]+ 128.05803 125.7
[M]- 128.05913 125.7
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.