CID 232919

Ethyl 5-methyl-1h-indole-2-carboxylate

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

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

InChI

InChI=1S/C12H13NO2/c1-3-15-12(14)11-7-9-6-8(2)4-5-10(9)13-11/h4-7,13H,3H2,1-2H3

InChIKey

KMVFKXFOPNKHEM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 203
Patents: 203.09464 Da
Monoisotopic Mass: 3.5
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]+	204.10192	143.4
[M+Na]+	226.08386	153.4
[M-H]-	202.08736	146.1
[M+NH4]+	221.12846	163.9
[M+K]+	242.05780	149.8
[M+H-H2O]+	186.09190	137.4
[M+HCOO]-	248.09284	165.9
[M+CH3COO]-	262.10849	183.2
[M+Na-2H]-	224.06931	148.6
[M]+	203.09409	146.3
[M]-	203.09519	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe