CID 15084144

132464-87-0

Structural Information

Molecular Formula

C₁₀H₈O

SMILES

C#CC1=CC2=C(C=C1)OCC2

InChI

InChI=1S/C10H8O/c1-2-8-3-4-10-9(7-8)5-6-11-10/h1,3-4,7H,5-6H2

InChIKey

OERRNMOURWJLFE-UHFFFAOYSA-N

Compound name

5-ethynyl-2,3-dihydro-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 144.05751 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]+	145.064786	128.6
[M+Na]+	167.046728	140.5
[M-H]-	143.050234	132.1
[M+NH4]+	162.091333	149.4
[M+K]+	183.020668	135.7
[M+H-H2O]+	127.054770	117.7
[M+HCOO]-	189.055711	145.9
[M+CH3COO]-	203.071361	141.8
[M+Na-2H]-	165.032176	135.2
[M]+	144.05696142	123.5
[M]-	144.05805858	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe