CID 95913799

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

Structural Information

Molecular Formula
C5H8N2O3
SMILES
COC(C1=NN=CO1)OC
InChI
InChI=1S/C5H8N2O3/c1-8-5(9-2)4-7-6-3-10-4/h3,5H,1-2H3
InChIKey
UCMKBNSWYVGWJT-UHFFFAOYSA-N
Compound name
2-(dimethoxymethyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.0535 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06078 125.2
[M+Na]+ 167.04272 133.9
[M-H]- 143.04622 127.0
[M+NH4]+ 162.08732 144.3
[M+K]+ 183.01666 136.0
[M+H-H2O]+ 127.05076 118.3
[M+HCOO]- 189.05170 147.9
[M+CH3COO]- 203.06735 171.6
[M+Na-2H]- 165.02817 132.7
[M]+ 144.05295 129.6
[M]- 144.05405 129.6
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.