CID 63773026

5-(diethoxymethyl)-3-methyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C8H14N2O3
SMILES
CCOC(C1=NC(=NO1)C)OCC
InChI
InChI=1S/C8H14N2O3/c1-4-11-8(12-5-2)7-9-6(3)10-13-7/h8H,4-5H2,1-3H3
InChIKey
URTNHOKHXSDNPS-UHFFFAOYSA-N
Compound name
5-(diethoxymethyl)-3-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.10045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.107726 139.1
[M+Na]+ 209.089668 147.4
[M-H]- 185.093174 140.8
[M+NH4]+ 204.134273 156.9
[M+K]+ 225.063608 148.7
[M+H-H2O]+ 169.097710 131.9
[M+HCOO]- 231.098651 160.8
[M+CH3COO]- 245.114301 181.7
[M+Na-2H]- 207.075116 144.3
[M]+ 186.09990142 145.0
[M]- 186.10099858 145.0
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.