CID 135538635

Isoquinolinedione

Structural Information

Molecular Formula

C₁₀H₇NO₄

SMILES

COC1=C(C(=O)C(=O)C2=C1C=CN=C2)O

InChI

InChI=1S/C10H7NO4/c1-15-10-5-2-3-11-4-6(5)7(12)8(13)9(10)14/h2-4,14H,1H3

InChIKey

PUFUORRKKCDXFV-UHFFFAOYSA-N

Compound name

6-hydroxy-5-methoxyisoquinoline-7,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 205.0375 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.04478	138.0
[M+Na]+	228.02672	149.0
[M-H]-	204.03022	140.9
[M+NH4]+	223.07132	156.6
[M+K]+	244.00066	146.4
[M+H-H2O]+	188.03476	131.8
[M+HCOO]-	250.03570	159.1
[M+CH3COO]-	264.05135	183.6
[M+Na-2H]-	226.01217	144.9
[M]+	205.03695	140.3
[M]-	205.03805	140.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.