CID 19697859

Ethyl 2,3-dihydro-1h-indole-3-carboxylate hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CCOC(=O)C1CNC2=CC=CC=C12

InChI

InChI=1S/C11H13NO2/c1-2-14-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-6,9,12H,2,7H2,1H3

InChIKey

AMXYINYUZBCGGG-UHFFFAOYSA-N

Compound name

ethyl 2,3-dihydro-1H-indole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 191.09464 Da
Monoisotopic Mass: 1.9
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]+	192.101916	141.8
[M+Na]+	214.083858	149.2
[M-H]-	190.087364	143.5
[M+NH4]+	209.128463	162.2
[M+K]+	230.057798	146.3
[M+H-H2O]+	174.091900	135.7
[M+HCOO]-	236.092841	161.8
[M+CH3COO]-	250.108491	179.6
[M+Na-2H]-	212.069306	146.2
[M]+	191.09409142	141.0
[M]-	191.09518858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe