CID 12751607

2-methyl-5h-pyrrolo[3,4-b]pyrazine-5,7(6h)-dione

Structural Information

Molecular Formula
C7H5N3O2
SMILES
CC1=CN=C2C(=N1)C(=O)NC2=O
InChI
InChI=1S/C7H5N3O2/c1-3-2-8-4-5(9-3)7(12)10-6(4)11/h2H,1H3,(H,10,11,12)
InChIKey
KHKIDNHBRDOFOB-UHFFFAOYSA-N
Compound name
3-methylpyrrolo[3,4-b]pyrazine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.03818 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04546 131.1
[M+Na]+ 186.02740 142.7
[M-H]- 162.03090 131.2
[M+NH4]+ 181.07200 150.4
[M+K]+ 202.00134 139.4
[M+H-H2O]+ 146.03544 124.4
[M+HCOO]- 208.03638 150.9
[M+CH3COO]- 222.05203 174.5
[M+Na-2H]- 184.01285 137.2
[M]+ 163.03763 130.8
[M]- 163.03873 130.8
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

patents stripe