CID 63358121

Ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate

Structural Information

Molecular Formula
C7H10N2O4
SMILES
CCOC(=O)C1=NC(=NO1)COC
InChI
InChI=1S/C7H10N2O4/c1-3-12-7(10)6-8-5(4-11-2)9-13-6/h3-4H2,1-2H3
InChIKey
QKHYKAJPDPQILW-UHFFFAOYSA-N
Compound name
ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.06406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07134 135.9
[M+Na]+ 209.05328 144.9
[M-H]- 185.05678 137.8
[M+NH4]+ 204.09788 153.6
[M+K]+ 225.02722 146.4
[M+H-H2O]+ 169.06132 128.9
[M+HCOO]- 231.06226 158.4
[M+CH3COO]- 245.07791 179.3
[M+Na-2H]- 207.03873 141.7
[M]+ 186.06351 142.1
[M]- 186.06461 142.1
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

patents stripe