CID 135456470

4h,5h,6h,7h-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-dione

Structural Information

Molecular Formula
C4H2N4O3
SMILES
C12=NON=C1NC(=O)C(=O)N2
InChI
InChI=1S/C4H2N4O3/c9-3-4(10)6-2-1(5-3)7-11-8-2/h(H,5,7,9)(H,6,8,10)
InChIKey
AFJDXTDPQNIWOX-UHFFFAOYSA-N
Compound name
4,7-dihydro-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

154.0127 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.01998 124.1
[M+Na]+ 177.00192 137.6
[M-H]- 153.00542 122.9
[M+NH4]+ 172.04652 140.2
[M+K]+ 192.97586 134.8
[M+H-H2O]+ 137.00996 116.9
[M+HCOO]- 199.01090 144.0
[M+CH3COO]- 213.02655 138.1
[M+Na-2H]- 174.98737 134.1
[M]+ 154.01215 125.8
[M]- 154.01325 125.8
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