CID 20926

4792-58-9

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OC

InChI

InChI=1S/C12H13NO3/c1-3-16-12(14)11-7-8-6-9(15-2)4-5-10(8)13-11/h4-7,13H,3H2,1-2H3

InChIKey

NPIUAXNFAUGNHP-UHFFFAOYSA-N

Compound name

ethyl 5-methoxy-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 378
Patents: 219.08954 Da
Monoisotopic Mass: 3.2
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]+	220.096816	146.4
[M+Na]+	242.078758	156.2
[M-H]-	218.082264	149.1
[M+NH4]+	237.123363	166.1
[M+K]+	258.052698	153.3
[M+H-H2O]+	202.086800	140.2
[M+HCOO]-	264.087741	169.1
[M+CH3COO]-	278.103391	185.2
[M+Na-2H]-	240.064206	151.6
[M]+	219.08899142	150.7
[M]-	219.09008858	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe