CID 3488033

18657-57-3

Structural Information

Molecular Formula

C₂₀H₁₈

SMILES

C1C=C(C2=CC=CC=C21)CCC3=CCC4=CC=CC=C43

InChI

InChI=1S/C20H18/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h1-8,11-12H,9-10,13-14H2

InChIKey

CQAQBIQKEFJNRZ-UHFFFAOYSA-N

Compound name

3-[2-(3H-inden-1-yl)ethyl]-1H-indene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 68
Patents: 258.14084 Da
Monoisotopic Mass: 4.8
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]+	259.14812	162.0
[M+Na]+	281.13006	170.6
[M-H]-	257.13356	170.8
[M+NH4]+	276.17466	184.4
[M+K]+	297.10400	164.1
[M+H-H2O]+	241.13810	155.4
[M+HCOO]-	303.13904	185.6
[M+CH3COO]-	317.15469	175.1
[M+Na-2H]-	279.11551	165.3
[M]+	258.14029	163.0
[M]-	258.14139	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe