CID 4134651

2,2-di(prop-2-yn-1-yl)-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula

C₁₅H₁₀O₂

SMILES

C#CCC1(C(=O)C2=CC=CC=C2C1=O)CC#C

InChI

InChI=1S/C15H10O2/c1-3-9-15(10-4-2)13(16)11-7-5-6-8-12(11)14(15)17/h1-2,5-8H,9-10H2

InChIKey

DIEBKZFEMFDORU-UHFFFAOYSA-N

Compound name

2,2-bis(prop-2-ynyl)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.06808 Da
Monoisotopic Mass: 2.4
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]+	223.075356	163.9
[M+Na]+	245.057298	177.6
[M-H]-	221.060804	167.2
[M+NH4]+	240.101903	179.4
[M+K]+	261.031238	167.5
[M+H-H2O]+	205.065340	150.7
[M+HCOO]-	267.066281	173.3
[M+CH3COO]-	281.081931	213.3
[M+Na-2H]-	243.042746	164.3
[M]+	222.06753142	156.7
[M]-	222.06862858	156.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.