CID 10921653

136834-79-2

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CCOC(=O)C1(CC2=CC=CC=C2C1)N

InChI

InChI=1S/C12H15NO2/c1-2-15-11(14)12(13)7-9-5-3-4-6-10(9)8-12/h3-6H,2,7-8,13H2,1H3

InChIKey

QDBFVFBOZSMMSV-UHFFFAOYSA-N

Compound name

ethyl 2-amino-1,3-dihydroindene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 205.11028 Da
Monoisotopic Mass: 1.4
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]+	206.11756	145.7
[M+Na]+	228.09950	155.8
[M+NH4]+	223.14410	155.7
[M+K]+	244.07344	149.8
[M-H]-	204.10300	147.7
[M+Na-2H]-	226.08495	151.6
[M]+	205.10973	147.6
[M]-	205.11083	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe