CID 23174

Dicyclobutylidene

Structural Information

Molecular Formula

C₈H₁₂

SMILES

C1CC(=C2CCC2)C1

InChI

InChI=1S/C8H12/c1-3-7(4-1)8-5-2-6-8/h1-6H2

InChIKey

ANQVAFUCYRTKOQ-UHFFFAOYSA-N

Compound name

cyclobutylidenecyclobutane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 102
Patents: 108.0939 Da
Monoisotopic Mass: 1.9
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]+	109.101176	110.6
[M+Na]+	131.083118	114.7
[M-H]-	107.086624	116.7
[M+NH4]+	126.127723	120.1
[M+K]+	147.057058	119.0
[M+H-H2O]+	91.091160	97.4
[M+HCOO]-	153.092101	129.9
[M+CH3COO]-	167.107751	182.0
[M+Na-2H]-	129.068566	117.1
[M]+	108.09335142	123.2
[M]-	108.09444858	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe