CID 55272679

2241594-08-9

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC(=O)C1=CC2=C(C=C1)C(CC2)N

InChI

InChI=1S/C11H13NO2/c1-14-11(13)8-2-4-9-7(6-8)3-5-10(9)12/h2,4,6,10H,3,5,12H2,1H3

InChIKey

UOFGALYVZHUWOQ-UHFFFAOYSA-N

Compound name

methyl 1-amino-2,3-dihydro-1H-indene-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 191.09464 Da
Monoisotopic Mass: 1.1
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	140.6
[M+Na]+	214.083858	148.5
[M-H]-	190.087364	145.0
[M+NH4]+	209.128463	162.8
[M+K]+	230.057798	146.2
[M+H-H2O]+	174.091900	135.2
[M+HCOO]-	236.092841	163.8
[M+CH3COO]-	250.108491	184.9
[M+Na-2H]-	212.069306	144.3
[M]+	191.09409142	139.9
[M]-	191.09518858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe