CID 83908942

1-amino-4-methoxy-2,3-dihydro-1h-indene-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

COC1=CC=CC2=C1CCC2(C(=O)O)N

InChI

InChI=1S/C11H13NO3/c1-15-9-4-2-3-8-7(9)5-6-11(8,12)10(13)14/h2-4H,5-6,12H2,1H3,(H,13,14)

InChIKey

MRHDPNNJYDWNLI-UHFFFAOYSA-N

Compound name

1-amino-4-methoxy-2,3-dihydroindene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.08954 Da
Monoisotopic Mass: -1.5
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]+	208.096816	143.4
[M+Na]+	230.078758	151.7
[M-H]-	206.082264	146.7
[M+NH4]+	225.123363	166.2
[M+K]+	246.052698	149.2
[M+H-H2O]+	190.086800	138.9
[M+HCOO]-	252.087741	165.2
[M+CH3COO]-	266.103391	184.8
[M+Na-2H]-	228.064206	148.0
[M]+	207.08899142	142.7
[M]-	207.09008858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.