CID 40229

Brn 1531818

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CN1C2=CC=CC=C2C=C1C(=O)COC

InChI

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

InChIKey

VOTKMUXYVHDZPG-UHFFFAOYSA-N

Compound name

2-methoxy-1-(1-methylindol-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.09464 Da
Monoisotopic Mass: 2.0
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]+	204.10192	142.9
[M+Na]+	226.08386	156.4
[M+NH4]+	221.12846	151.3
[M+K]+	242.05780	151.6
[M-H]-	202.08736	144.4
[M+Na-2H]-	224.06931	149.1
[M]+	203.09409	145.2
[M]-	203.09519	145.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.