CID 643590

Cis-bicyclo[4.2.0]octane

Structural Information

Molecular Formula

C₈H₁₄

SMILES

C1CC[C@H]2CC[C@H]2C1

InChI

InChI=1S/C8H14/c1-2-4-8-6-5-7(8)3-1/h7-8H,1-6H2/t7-,8+

InChIKey

RPZUBXWEQBPUJR-OCAPTIKFSA-N

Compound name

(1R,6S)-bicyclo[4.2.0]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
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	117.1
[M+Na]+	133.09877	121.7
[M-H]-	109.10227	120.9
[M+NH4]+	128.14337	134.4
[M+K]+	149.07271	123.6
[M+H-H2O]+	93.106810	107.7
[M+HCOO]-	155.10775	136.0
[M+CH3COO]-	169.12340	173.0
[M+Na-2H]-	131.08422	124.7
[M]+	110.10900	121.0
[M]-	110.11010	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.