CID 3981211

16077-09-1

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

CN1C2=C(C=C(C=C2)OC)C(=O)C1=O

InChI

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

InChIKey

CZRPSRARMQINMA-UHFFFAOYSA-N

Compound name

5-methoxy-1-methylindole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 191.05824 Da
Monoisotopic Mass: 0.6
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]+	192.06552	138.5
[M+Na]+	214.04746	151.2
[M+NH4]+	209.09206	146.4
[M+K]+	230.02140	147.3
[M-H]-	190.05096	139.3
[M+Na-2H]-	212.03291	142.7
[M]+	191.05769	140.3
[M]-	191.05879	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe