CID 494071

Nsc 98298

Structural Information

Molecular Formula
C8H12N2O6
SMILES
CCOC(=O)C1=C(N(ON1)O)C(=O)OCC
InChI
InChI=1S/C8H12N2O6/c1-3-14-7(11)5-6(8(12)15-4-2)10(13)16-9-5/h9,13H,3-4H2,1-2H3
InChIKey
LJUBOXRZRMDGQL-UHFFFAOYSA-N
Compound name
diethyl 5-hydroxy-2H-1,2,5-oxadiazole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.06953 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07681 147.5
[M+Na]+ 255.05875 154.8
[M-H]- 231.06225 146.6
[M+NH4]+ 250.10335 161.7
[M+K]+ 271.03269 155.4
[M+H-H2O]+ 215.06679 140.8
[M+HCOO]- 277.06773 164.7
[M+CH3COO]- 291.08338 182.9
[M+Na-2H]- 253.04420 149.2
[M]+ 232.06898 150.7
[M]- 232.07008 150.7
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.