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]+ 187.10773 139.1
[M+Na]+ 209.08967 147.4
[M-H]- 185.09317 140.8
[M+NH4]+ 204.13427 156.9
[M+K]+ 225.06361 148.7
[M+H-H2O]+ 169.09771 131.9
[M+HCOO]- 231.09865 160.8
[M+CH3COO]- 245.11430 181.7
[M+Na-2H]- 207.07512 144.3
[M]+ 186.09990 145.0
[M]- 186.10100 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.