CID 119849

28998-48-3

Structural Information

Molecular Formula

C₁₆H₂₀O₃

SMILES

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

InChI

InChI=1S/C16H20O3/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12,17H,1-7H2,(H,18,19)

InChIKey

WSKCLYSPBODMHR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 260.14124 Da
Monoisotopic Mass: 4.0
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]+	261.148516	160.3
[M+Na]+	283.130458	164.9
[M-H]-	259.133964	164.4
[M+NH4]+	278.175063	178.2
[M+K]+	299.104398	160.6
[M+H-H2O]+	243.138500	154.3
[M+HCOO]-	305.139441	175.5
[M+CH3COO]-	319.155091	191.7
[M+Na-2H]-	281.115906	159.7
[M]+	260.14069142	154.3
[M]-	260.14178858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe