CID 78482

Furo[3,4-b]pyrazine-5,7-dione

Structural Information

Molecular Formula
C6H2N2O3
SMILES
C1=CN=C2C(=N1)C(=O)OC2=O
InChI
InChI=1S/C6H2N2O3/c9-5-3-4(6(10)11-5)8-2-1-7-3/h1-2H
InChIKey
AWJWCTOOIBYHON-UHFFFAOYSA-N
Compound name
furo[3,4-b]pyrazine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

99960
Patents

150.00655 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.013826 122.8
[M+Na]+ 172.995768 134.3
[M-H]- 148.999274 126.2
[M+NH4]+ 168.040373 143.1
[M+K]+ 188.969708 133.8
[M+H-H2O]+ 133.003810 116.6
[M+HCOO]- 195.004751 145.1
[M+CH3COO]- 209.020401 172.1
[M+Na-2H]- 170.981216 131.6
[M]+ 150.00600142 125.1
[M]- 150.00709858 125.1
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