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]+ 187.071336 135.9
[M+Na]+ 209.053278 144.9
[M-H]- 185.056784 137.8
[M+NH4]+ 204.097883 153.6
[M+K]+ 225.027218 146.4
[M+H-H2O]+ 169.061320 128.9
[M+HCOO]- 231.062261 158.4
[M+CH3COO]- 245.077911 179.3
[M+Na-2H]- 207.038726 141.7
[M]+ 186.06351142 142.1
[M]- 186.06460858 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