CID 12508166

2,3-dihydroisoquinoline-1,4-dione

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1C(=O)C2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C9H7NO2/c11-8-5-10-9(12)7-4-2-1-3-6(7)8/h1-4H,5H2,(H,10,12)
InChIKey
WRRHHSIPJQOVJM-UHFFFAOYSA-N
Compound name
2,3-dihydroisoquinoline-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

161.04768 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 129.6
[M+Na]+ 184.036898 138.4
[M-H]- 160.040404 131.5
[M+NH4]+ 179.081503 149.5
[M+K]+ 200.010838 134.9
[M+H-H2O]+ 144.044940 123.6
[M+HCOO]- 206.045881 149.2
[M+CH3COO]- 220.061531 174.1
[M+Na-2H]- 182.022346 137.3
[M]+ 161.04713142 126.3
[M]- 161.04822858 126.3
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

patents stripe