CID 40230

Brn 1459195

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CC1=C(NC2=CC=CC=C12)C(=O)COC

InChI

InChI=1S/C12H13NO2/c1-8-9-5-3-4-6-10(9)13-12(8)11(14)7-15-2/h3-6,13H,7H2,1-2H3

InChIKey

SQAVRXHTSRPTBG-UHFFFAOYSA-N

Compound name

2-methoxy-1-(3-methyl-1H-indol-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 203.09464 Da
Monoisotopic Mass: 2.3
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]+	204.10192	143.2
[M+Na]+	226.08386	153.1
[M-H]-	202.08736	145.8
[M+NH4]+	221.12846	163.6
[M+K]+	242.05780	149.5
[M+H-H2O]+	186.09190	137.1
[M+HCOO]-	248.09284	165.7
[M+CH3COO]-	262.10849	183.8
[M+Na-2H]-	224.06931	148.3
[M]+	203.09409	146.1
[M]-	203.09519	146.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.