CID 136091

Bicyclo[4.2.0]octane

Structural Information

Molecular Formula

C₈H₁₄

SMILES

C1CCC2CCC2C1

InChI

InChI=1S/C8H14/c1-2-4-8-6-5-7(8)3-1/h7-8H,1-6H2

InChIKey

RPZUBXWEQBPUJR-UHFFFAOYSA-N

Compound name

bicyclo[4.2.0]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 3788
Patents: 110.10955 Da
Monoisotopic Mass: 3.5
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]+	111.11683	120.0
[M+Na]+	133.09877	126.9
[M+NH4]+	128.14337	127.0
[M+K]+	149.07271	122.0
[M-H]-	109.10227	120.3
[M+Na-2H]-	131.08422	123.4
[M]+	110.10900	119.8
[M]-	110.11010	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe