CID 129971913

Methyl 1-amino-6-fluoro-2,3-dihydro-1h-indene-4-carboxylate hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂FNO₂

SMILES

COC(=O)C1=CC(=CC2=C1CCC2N)F

InChI

InChI=1S/C11H12FNO2/c1-15-11(14)9-5-6(12)4-8-7(9)2-3-10(8)13/h4-5,10H,2-3,13H2,1H3

InChIKey

BUDLOWSOWKSKRK-UHFFFAOYSA-N

Compound name

methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.0852 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]+	210.092476	143.0
[M+Na]+	232.074418	151.8
[M-H]-	208.077924	146.3
[M+NH4]+	227.119023	164.7
[M+K]+	248.048358	149.1
[M+H-H2O]+	192.082460	136.9
[M+HCOO]-	254.083401	165.1
[M+CH3COO]-	268.099051	188.8
[M+Na-2H]-	230.059866	145.4
[M]+	209.08465142	141.5
[M]-	209.08574858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.