CID 68121

1,4,5,8-tetrahydronaphthalene

Structural Information

Molecular Formula

C₁₀H₁₂

SMILES

C1C=CCC2=C1CC=CC2

InChI

InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-4H,5-8H2

InChIKey

FSWYUDLVKBSHDX-UHFFFAOYSA-N

Compound name

1,4,5,8-tetrahydronaphthalene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 592
Patents: 132.0939 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]+	133.10118	125.0
[M+Na]+	155.08312	131.4
[M-H]-	131.08662	129.0
[M+NH4]+	150.12772	147.8
[M+K]+	171.05706	128.9
[M+H-H2O]+	115.09116	119.4
[M+HCOO]-	177.09210	146.4
[M+CH3COO]-	191.10775	138.7
[M+Na-2H]-	153.06857	134.1
[M]+	132.09335	121.1
[M]-	132.09445	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe