CID 53434686

1057670-26-4

Structural Information

Molecular Formula

C₁₀H₈O₂

SMILES

C#CC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C10H8O2/c1-2-8-3-4-9-10(7-8)12-6-5-11-9/h1,3-4,7H,5-6H2

InChIKey

HITCZQWRMRQZGQ-UHFFFAOYSA-N

Compound name

6-ethynyl-2,3-dihydro-1,4-benzodioxine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 160.05243 Da
Monoisotopic Mass: 2.1
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]+	161.05971	135.1
[M+Na]+	183.04165	148.8
[M+NH4]+	178.08625	141.1
[M+K]+	199.01559	139.3
[M-H]-	159.04515	132.3
[M+Na-2H]-	181.02710	138.1
[M]+	160.05188	135.6
[M]-	160.05298	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe