CID 100439

1,1'-oxalyldiimidazole

Structural Information

Molecular Formula
C8H6N4O2
SMILES
C1=CN(C=N1)C(=O)C(=O)N2C=CN=C2
InChI
InChI=1S/C8H6N4O2/c13-7(11-3-1-9-5-11)8(14)12-4-2-10-6-12/h1-6H
InChIKey
ONRNRVLJHFFBJG-UHFFFAOYSA-N
Compound name
1,2-di(imidazol-1-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1209
Patents

190.04907 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05635 136.9
[M+Na]+ 213.03829 146.9
[M-H]- 189.04179 139.6
[M+NH4]+ 208.08289 154.2
[M+K]+ 229.01223 145.6
[M+H-H2O]+ 173.04633 127.8
[M+HCOO]- 235.04727 159.8
[M+CH3COO]- 249.06292 177.5
[M+Na-2H]- 211.02374 141.3
[M]+ 190.04852 138.9
[M]- 190.04962 138.9
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