CID 37610

2-carbethoxy-5-ethylindole

Structural Information

Molecular Formula

C₁₃H₁₅NO₂

SMILES

CCC1=CC2=C(C=C1)NC(=C2)C(=O)OCC

InChI

InChI=1S/C13H15NO2/c1-3-9-5-6-11-10(7-9)8-12(14-11)13(15)16-4-2/h5-8,14H,3-4H2,1-2H3

InChIKey

BPAHRSSJFSVBFO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 217.11028 Da
Monoisotopic Mass: 4.0
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]+	218.11756	148.2
[M+Na]+	240.09950	160.9
[M+NH4]+	235.14410	156.1
[M+K]+	256.07344	156.2
[M-H]-	216.10300	149.1
[M+Na-2H]-	238.08495	153.4
[M]+	217.10973	150.1
[M]-	217.11083	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe