CID 278777

Nsc128701

Structural Information

Molecular Formula
C8H8N2O3
SMILES
CC1C2=C(CC(=O)NC2=O)C(=O)N1
InChI
InChI=1S/C8H8N2O3/c1-3-6-4(7(12)9-3)2-5(11)10-8(6)13/h3H,2H2,1H3,(H,9,12)(H,10,11,13)
InChIKey
AUXVOKFDPRBZMU-UHFFFAOYSA-N
Compound name
3-methyl-3,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0535 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 136.4
[M+Na]+ 203.04272 146.1
[M-H]- 179.04622 136.0
[M+NH4]+ 198.08732 155.6
[M+K]+ 219.01666 142.2
[M+H-H2O]+ 163.05076 130.9
[M+HCOO]- 225.05170 153.1
[M+CH3COO]- 239.06735 175.6
[M+Na-2H]- 201.02817 139.0
[M]+ 180.05295 132.3
[M]- 180.05405 132.3
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.