CID 247965

776-41-0

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CCOC(=O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C11H11NO2/c1-2-14-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-7,12H,2H2,1H3

InChIKey

XOUHVMVYFOXTMN-UHFFFAOYSA-N

Compound name

ethyl 1H-indole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 187
Patents: 189.07898 Da
Monoisotopic Mass: 3.0
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]+	190.08626	139.3
[M+Na]+	212.06820	152.1
[M+NH4]+	207.11280	147.6
[M+K]+	228.04214	147.6
[M-H]-	188.07170	140.3
[M+Na-2H]-	210.05365	145.4
[M]+	189.07843	141.3
[M]-	189.07953	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe