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: 19
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]+	192.065516	137.5
[M+Na]+	214.047458	147.6
[M-H]-	190.050964	140.0
[M+NH4]+	209.092063	158.3
[M+K]+	230.021398	144.4
[M+H-H2O]+	174.055500	131.9
[M+HCOO]-	236.056441	159.1
[M+CH3COO]-	250.072091	180.0
[M+Na-2H]-	212.032906	142.4
[M]+	191.05769142	138.6
[M]-	191.05878858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe