CID 360232

Nsc622252

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

CC1=C(C2=CN(C=C2C(=O)C1=O)C)O

InChI

InChI=1S/C10H9NO3/c1-5-8(12)6-3-11(2)4-7(6)10(14)9(5)13/h3-4,12H,1-2H3

InChIKey

PIDMOAQKRCCRJE-UHFFFAOYSA-N

Compound name

7-hydroxy-2,6-dimethylisoindole-4,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.05824 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]+	192.06552	136.5
[M+Na]+	214.04746	148.4
[M-H]-	190.05096	139.8
[M+NH4]+	209.09206	158.0
[M+K]+	230.02140	145.3
[M+H-H2O]+	174.05550	131.7
[M+HCOO]-	236.05644	158.1
[M+CH3COO]-	250.07209	182.5
[M+Na-2H]-	212.03291	140.2
[M]+	191.05769	138.5
[M]-	191.05879	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.