CID 15084143

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

Structural Information

Molecular Formula

C₁₁H₁₀

SMILES

C#CC1=CC2=C(CCC2)C=C1

InChI

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

InChIKey

MQVASHYUPQHESX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 142.07825 Da
Monoisotopic Mass: 3.0
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]+	143.08553	131.9
[M+Na]+	165.06747	144.7
[M+NH4]+	160.11207	138.8
[M+K]+	181.04141	135.4
[M-H]-	141.07097	126.9
[M+Na-2H]-	163.05292	135.5
[M]+	142.07770	131.6
[M]-	142.07880	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe