CID 266586

2,3-dimethylindole-4,7-dione

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CC1=C(NC2=C1C(=O)C=CC2=O)C

InChI

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

InChIKey

RUUQDFBLUDDOPY-UHFFFAOYSA-N

Compound name

2,3-dimethyl-1H-indole-4,7-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 175.06332 Da
Monoisotopic Mass: 1.3
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

literature stripe

Patent stripe

patents stripe