CID 16794790

169040-78-2

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

CCOC1=CC2=C(C=C1)NC(=O)C2=O

InChI

InChI=1S/C10H9NO3/c1-2-14-6-3-4-8-7(5-6)9(12)10(13)11-8/h3-5H,2H2,1H3,(H,11,12,13)

InChIKey

VPBTXKVUDRKXBP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 191.05824 Da
Monoisotopic Mass: 1.0
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	139.2
[M+Na]+	214.04746	151.0
[M+NH4]+	209.09206	146.8
[M+K]+	230.02140	147.2
[M-H]-	190.05096	139.4
[M+Na-2H]-	212.03291	143.1
[M]+	191.05769	140.7
[M]-	191.05879	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe