CID 40229

Ketone, methoxymethyl 1-methyl-2-indolyl

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]+	204.101916	142.6
[M+Na]+	226.083858	152.9
[M-H]-	202.087364	146.6
[M+NH4]+	221.128463	163.7
[M+K]+	242.057798	150.3
[M+H-H2O]+	186.091900	136.3
[M+HCOO]-	248.092841	166.6
[M+CH3COO]-	262.108491	186.4
[M+Na-2H]-	224.069306	148.2
[M]+	203.09409142	147.4
[M]-	203.09518858	147.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.