CID 119848

28998-47-2

Structural Information

Molecular Formula

C₁₆H₂₁NO₂

SMILES

C1CCC(CC1)C2=C(C=C3C(CCC3=C2)C(=O)O)N

InChI

InChI=1S/C16H21NO2/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12H,1-7,17H2,(H,18,19)

InChIKey

VUDHKNQACVHAKK-UHFFFAOYSA-N

Compound name

6-amino-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 259.15723 Da
Monoisotopic Mass: 3.7
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]+	260.164506	160.6
[M+Na]+	282.146448	164.9
[M-H]-	258.149954	165.6
[M+NH4]+	277.191053	178.8
[M+K]+	298.120388	160.5
[M+H-H2O]+	242.154490	154.2
[M+HCOO]-	304.155431	177.6
[M+CH3COO]-	318.171081	196.4
[M+Na-2H]-	280.131896	159.9
[M]+	259.15668142	153.4
[M]-	259.15777858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe