CID 2752589

15540-88-2

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CC1=C2C(=C(C=C1)C)C(=O)NC2=O

InChI

InChI=1S/C10H9NO2/c1-5-3-4-6(2)8-7(5)9(12)11-10(8)13/h3-4H,1-2H3,(H,11,12,13)

InChIKey

KQLNDLDZXKJABP-UHFFFAOYSA-N

Compound name

4,7-dimethylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 175.06332 Da
Monoisotopic Mass: 1.4
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]+	176.07060	134.1
[M+Na]+	198.05254	145.3
[M-H]-	174.05604	137.0
[M+NH4]+	193.09714	156.0
[M+K]+	214.02648	141.5
[M+H-H2O]+	158.06058	129.1
[M+HCOO]-	220.06152	155.6
[M+CH3COO]-	234.07717	179.1
[M+Na-2H]-	196.03799	138.3
[M]+	175.06277	134.2
[M]-	175.06387	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe