CID 15647834

20470-48-8

Structural Information

Molecular Formula

C₁₁H₁₀O

SMILES

C#CC1(CCC2=CC=CC=C21)O

InChI

InChI=1S/C11H10O/c1-2-11(12)8-7-9-5-3-4-6-10(9)11/h1,3-6,12H,7-8H2

InChIKey

XRPSBLRPYIACBC-UHFFFAOYSA-N

Compound name

1-ethynyl-2,3-dihydroinden-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 158.07317 Da
Monoisotopic Mass: 1.6
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]+	159.08045	133.4
[M+Na]+	181.06239	145.5
[M+NH4]+	176.10699	140.8
[M+K]+	197.03633	135.6
[M-H]-	157.06589	127.5
[M+Na-2H]-	179.04784	137.6
[M]+	158.07262	132.8
[M]-	158.07372	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe