CID 12634804

343774-48-1

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

CC1=CC(=CC2=C1NC(=O)C2=O)OC

InChI

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

InChIKey

PROWQPRZTYDRFQ-UHFFFAOYSA-N

Compound name

5-methoxy-7-methyl-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 191.05824 Da
Monoisotopic Mass: 1.1
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	139.0
[M+Na]+	214.04746	151.2
[M+NH4]+	209.09206	146.6
[M+K]+	230.02140	147.6
[M-H]-	190.05096	139.2
[M+Na-2H]-	212.03291	142.6
[M]+	191.05769	140.5
[M]-	191.05879	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe