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: 16
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]+	145.101176	130.8
[M+Na]+	167.083118	138.6
[M-H]-	143.086624	137.7
[M+NH4]+	162.127723	155.5
[M+K]+	183.057058	136.2
[M+H-H2O]+	127.091160	125.1
[M+HCOO]-	189.092101	157.7
[M+CH3COO]-	203.107751	145.8
[M+Na-2H]-	165.068566	135.5
[M]+	144.09335142	130.4
[M]-	144.09444858	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe