CID 10942441

2499-64-1

Structural Information

Molecular Formula

C₁₀H₈

SMILES

C=CC1=CC=C(C=C1)C#C

InChI

InChI=1S/C10H8/c1-3-9-5-7-10(4-2)8-6-9/h1,4-8H,2H2

InChIKey

GBLRMBKJBLNURW-UHFFFAOYSA-N

Compound name

1-ethenyl-4-ethynylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 132
Patents: 128.0626 Da
Monoisotopic Mass: 2.9
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]+	129.06988	126.9
[M+Na]+	151.05182	140.8
[M+NH4]+	146.09642	132.9
[M+K]+	167.02576	130.2
[M-H]-	127.05532	121.9
[M+Na-2H]-	149.03727	132.1
[M]+	128.06205	126.8
[M]-	128.06315	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe