CID 22506842

327615-31-6

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

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

InChI

InChI=1S/C11H13NO2/c1-6-4-9(14-3)7(2)8-5-10(13)12-11(6)8/h4H,5H2,1-3H3,(H,12,13)

InChIKey

BXEUBZUSVSUCDT-UHFFFAOYSA-N

Compound name

5-methoxy-4,7-dimethyl-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 191.09464 Da
Monoisotopic Mass: 1.5
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]+	192.10192	140.9
[M+Na]+	214.08386	153.4
[M+NH4]+	209.12846	149.2
[M+K]+	230.05780	149.1
[M-H]-	190.08736	141.9
[M+Na-2H]-	212.06931	144.9
[M]+	191.09409	142.8
[M]-	191.09519	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe