CID 11062509

31833-02-0

Structural Information

Molecular Formula

C₁₁H₁₂

SMILES

C1C=CC=C1CC2=CC=CC2

InChI

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

InChIKey

MNZVDLKGKIWKLM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
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	130.8
[M+Na]+	167.08312	138.6
[M-H]-	143.08662	137.7
[M+NH4]+	162.12772	155.5
[M+K]+	183.05706	136.2
[M+H-H2O]+	127.09116	125.1
[M+HCOO]-	189.09210	157.7
[M+CH3COO]-	203.10775	145.8
[M+Na-2H]-	165.06857	135.5
[M]+	144.09335	130.4
[M]-	144.09445	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe