CID 58686623

903558-73-6

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC(=O)C1=CC2=C(CCC2N)C=C1

InChI

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

InChIKey

WVMGINRJNBISMA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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]+	192.10192	140.7
[M+Na]+	214.08386	151.3
[M+NH4]+	209.12846	149.4
[M+K]+	230.05780	147.5
[M-H]-	190.08736	142.8
[M+Na-2H]-	212.06931	145.1
[M]+	191.09409	142.6
[M]-	191.09519	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe