CID 1419102

65422-98-2

Structural Information

Molecular Formula
C8H10N2O5
SMILES
CCOC(=O)C1=NON=C1C(=O)OCC
InChI
InChI=1S/C8H10N2O5/c1-3-13-7(11)5-6(10-15-9-5)8(12)14-4-2/h3-4H2,1-2H3
InChIKey
GWQHRMDHUWRYPI-UHFFFAOYSA-N
Compound name
diethyl 1,2,5-oxadiazole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

214.05898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06626 142.2
[M+Na]+ 237.04820 150.8
[M-H]- 213.05170 144.2
[M+NH4]+ 232.09280 158.6
[M+K]+ 253.02214 152.4
[M+H-H2O]+ 197.05624 135.1
[M+HCOO]- 259.05718 163.9
[M+CH3COO]- 273.07283 183.8
[M+Na-2H]- 235.03365 146.5
[M]+ 214.05843 148.8
[M]- 214.05953 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe