CID 6492

Dicyclopentadiene

Structural Information

Molecular Formula

C₁₀H₁₂

SMILES

C1C=CC2C1C3CC2C=C3

InChI

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

InChIKey

HECLRDQVFMWTQS-UHFFFAOYSA-N

Compound name

tricyclo[5.2.1.02,6]deca-3,8-diene

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 80
References: 80835
Patents: 132.0939 Da
Monoisotopic Mass: 2.5
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]+	133.10118	130.4
[M+Na]+	155.08312	139.2
[M-H]-	131.08662	134.9
[M+NH4]+	150.12772	160.3
[M+K]+	171.05706	136.6
[M+H-H2O]+	115.09116	126.9
[M+HCOO]-	177.09210	153.5
[M+CH3COO]-	191.10775	145.3
[M+Na-2H]-	153.06857	134.4
[M]+	132.09335	130.1
[M]-	132.09445	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe