CID 18525704

6-ethynylquinoxaline

Structural Information

Molecular Formula

C₁₀H₆N₂

SMILES

C#CC1=CC2=NC=CN=C2C=C1

InChI

InChI=1S/C10H6N2/c1-2-8-3-4-9-10(7-8)12-6-5-11-9/h1,3-7H

InChIKey

QSYDWUWZZBZOCD-UHFFFAOYSA-N

Compound name

6-ethynylquinoxaline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 154.0531 Da
Monoisotopic Mass: 1.5
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]+	155.06038	135.2
[M+Na]+	177.04232	150.3
[M+NH4]+	172.08692	141.0
[M+K]+	193.01626	139.4
[M-H]-	153.04582	129.7
[M+Na-2H]-	175.02777	140.6
[M]+	154.05255	135.1
[M]-	154.05365	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe