CID 845934

41905-79-7

Structural Information

Molecular Formula

C₂₀H₁₈O₃

SMILES

CC1=CC(=C(C(=C1)C)C2=C(C3=CC=CC=C3C2=O)OC(=O)C)C

InChI

InChI=1S/C20H18O3/c1-11-9-12(2)17(13(3)10-11)18-19(22)15-7-5-6-8-16(15)20(18)23-14(4)21/h5-10H,1-4H3

InChIKey

CYSZMKSQBPQJOR-UHFFFAOYSA-N

Compound name

[3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 306.12558 Da
Monoisotopic Mass: 4.1
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]+	307.132856	170.4
[M+Na]+	329.114798	181.3
[M-H]-	305.118304	179.6
[M+NH4]+	324.159403	189.1
[M+K]+	345.088738	176.8
[M+H-H2O]+	289.122840	163.9
[M+HCOO]-	351.123781	193.3
[M+CH3COO]-	365.139431	209.3
[M+Na-2H]-	327.100246	170.5
[M]+	306.12503142	175.7
[M]-	306.12612858	175.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe