CID 146081959

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

Structural Information

Molecular Formula
C7H12N2O3
SMILES
CCOC(C1=NOC=N1)OCC
InChI
InChI=1S/C7H12N2O3/c1-3-10-7(11-4-2)6-8-5-12-9-6/h5,7H,3-4H2,1-2H3
InChIKey
KQYPJGOXJINJGT-UHFFFAOYSA-N
Compound name
3-(diethoxymethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09208 135.4
[M+Na]+ 195.07402 145.8
[M+NH4]+ 190.11862 141.9
[M+K]+ 211.04796 143.7
[M-H]- 171.07752 135.7
[M+Na-2H]- 193.05947 139.5
[M]+ 172.08425 136.6
[M]- 172.08535 136.6
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.