CID 15243941

31833-02-0

Structural Information

Molecular Formula

C₁₁H₁₂

SMILES

C1C=CC(=C1)CC2=CCC=C2

InChI

InChI=1S/C11H12/c1-2-6-10(5-1)9-11-7-3-4-8-11/h1,3,5-8H,2,4,9H2

InChIKey

ZVRKKEBHWILCNJ-UHFFFAOYSA-N

Compound name

2-(cyclopenta-1,4-dien-1-ylmethyl)cyclopenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 144.0939 Da
Monoisotopic Mass: 2.8
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]+	145.10118	131.7
[M+Na]+	167.08312	144.2
[M+NH4]+	162.12772	142.3
[M+K]+	183.05706	139.8
[M-H]-	143.08662	136.1
[M+Na-2H]-	165.06857	140.4
[M]+	144.09335	134.8
[M]-	144.09445	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe