CID 583487

5-ethyl-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CCC1=CC2=C(C=C1)NC(=O)C2=O

InChI

InChI=1S/C10H9NO2/c1-2-6-3-4-8-7(5-6)9(12)10(13)11-8/h3-5H,2H2,1H3,(H,11,12,13)

InChIKey

XDGNFZUIJHZHHP-UHFFFAOYSA-N

Compound name

5-ethyl-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 69
Patents: 175.06332 Da
Monoisotopic Mass: 1.6
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	134.6
[M+Na]+	198.05254	144.8
[M-H]-	174.05604	137.1
[M+NH4]+	193.09714	156.2
[M+K]+	214.02648	141.1
[M+H-H2O]+	158.06058	129.2
[M+HCOO]-	220.06152	156.1
[M+CH3COO]-	234.07717	177.9
[M+Na-2H]-	196.03799	139.5
[M]+	175.06277	134.3
[M]-	175.06387	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe