CID 59454031

Methyl 1-methyl-2,3-dihydro-1h-indole-6-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CN1CCC2=C1C=C(C=C2)C(=O)OC

InChI

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

InChIKey

KQJMBLOFMLWTAB-UHFFFAOYSA-N

Compound name

methyl 1-methyl-2,3-dihydroindole-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
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	140.8
[M+Na]+	214.083858	149.6
[M-H]-	190.087364	144.3
[M+NH4]+	209.128463	162.3
[M+K]+	230.057798	147.6
[M+H-H2O]+	174.091900	134.7
[M+HCOO]-	236.092841	162.3
[M+CH3COO]-	250.108491	183.3
[M+Na-2H]-	212.069306	145.0
[M]+	191.09409142	142.3
[M]-	191.09518858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe