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

40
Patents

161.04768 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 129.6
[M+Na]+ 184.03690 138.4
[M-H]- 160.04040 131.5
[M+NH4]+ 179.08150 149.5
[M+K]+ 200.01084 134.9
[M+H-H2O]+ 144.04494 123.6
[M+HCOO]- 206.04588 149.2
[M+CH3COO]- 220.06153 174.1
[M+Na-2H]- 182.02235 137.3
[M]+ 161.04713 126.3
[M]- 161.04823 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