CID 73013501

2-ethynyl-2,3-dihydro-1h-indene

Structural Information

Molecular Formula

C₁₁H₁₀

SMILES

C#CC1CC2=CC=CC=C2C1

InChI

InChI=1S/C11H10/c1-2-9-7-10-5-3-4-6-11(10)8-9/h1,3-6,9H,7-8H2

InChIKey

VBPCNPKWGNPXSM-UHFFFAOYSA-N

Compound name

2-ethynyl-2,3-dihydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 142.07825 Da
Monoisotopic Mass: 2.6
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]+	143.085526	132.8
[M+Na]+	165.067468	144.2
[M-H]-	141.070974	135.7
[M+NH4]+	160.112073	154.7
[M+K]+	181.041408	137.5
[M+H-H2O]+	125.075510	121.8
[M+HCOO]-	187.076451	150.4
[M+CH3COO]-	201.092101	145.5
[M+Na-2H]-	163.052916	137.8
[M]+	142.07770142	126.1
[M]-	142.07879858	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe