CID 20725515

1824073-30-4

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC(=O)C1=CC2=C(CC(C2)N)C=C1

InChI

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

InChIKey

SGAIDXAIUTTWQZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 191.09464 Da
Monoisotopic Mass: 1.2
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]+	192.10192	140.6
[M+Na]+	214.08386	148.5
[M-H]-	190.08736	145.0
[M+NH4]+	209.12846	162.8
[M+K]+	230.05780	146.2
[M+H-H2O]+	174.09190	135.2
[M+HCOO]-	236.09284	163.8
[M+CH3COO]-	250.10849	184.9
[M+Na-2H]-	212.06931	144.3
[M]+	191.09409	139.9
[M]-	191.09519	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe