CID 9898841

736990-47-9

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1CNC(=O)C2=CNC=C21
InChI
InChI=1S/C7H8N2O/c10-7-6-4-8-3-5(6)1-2-9-7/h3-4,8H,1-2H2,(H,9,10)
InChIKey
MHPSPPZENOJQEA-UHFFFAOYSA-N
Compound name
2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

136.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 126.7
[M+Na]+ 159.052878 134.7
[M-H]- 135.056384 125.6
[M+NH4]+ 154.097483 147.2
[M+K]+ 175.026818 131.0
[M+H-H2O]+ 119.060920 120.5
[M+HCOO]- 181.061861 144.5
[M+CH3COO]- 195.077511 139.1
[M+Na-2H]- 157.038326 132.8
[M]+ 136.06311142 121.0
[M]- 136.06420858 121.0
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