CID 22451281

Methyl 5-methyl-2,3-dihydro-1h-indole-2-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CC1=CC2=C(C=C1)NC(C2)C(=O)OC

InChI

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

InChIKey

AWPHQOCLRCMPJN-UHFFFAOYSA-N

Compound name

methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 191.09464 Da
Monoisotopic Mass: 2.3
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	141.4
[M+Na]+	214.083858	149.8
[M-H]-	190.087364	143.5
[M+NH4]+	209.128463	162.2
[M+K]+	230.057798	146.9
[M+H-H2O]+	174.091900	135.7
[M+HCOO]-	236.092841	161.4
[M+CH3COO]-	250.108491	180.7
[M+Na-2H]-	212.069306	145.2
[M]+	191.09409142	141.1
[M]-	191.09518858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe