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

12
Patents

136.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 126.7
[M+Na]+ 159.05288 134.7
[M-H]- 135.05638 125.6
[M+NH4]+ 154.09748 147.2
[M+K]+ 175.02682 131.0
[M+H-H2O]+ 119.06092 120.5
[M+HCOO]- 181.06186 144.5
[M+CH3COO]- 195.07751 139.1
[M+Na-2H]- 157.03833 132.8
[M]+ 136.06311 121.0
[M]- 136.06421 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