CID 70004

1-vinylnaphthalene

Structural Information

Molecular Formula

C₁₂H₁₀

SMILES

C=CC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C12H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2-9H,1H2

InChIKey

IGGDKDTUCAWDAN-UHFFFAOYSA-N

Compound name

1-ethenylnaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 100804
Patents: 154.07825 Da
Monoisotopic Mass: 4.3
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]+	155.08553	130.8
[M+Na]+	177.06747	146.8
[M+NH4]+	172.11207	141.8
[M+K]+	193.04141	137.5
[M-H]-	153.07097	135.3
[M+Na-2H]-	175.05292	140.3
[M]+	154.07770	134.6
[M]-	154.07880	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe