CID 638079

Cyclooctene

Structural Information

Molecular Formula

C₈H₁₄

SMILES

C1CCC/C=C\CC1

InChI

InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-

InChIKey

URYYVOIYTNXXBN-UPHRSURJSA-N

Compound name

cyclooctene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 39170
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	135.3
[M+Na]+	133.09877	139.3
[M-H]-	109.10227	136.9
[M+NH4]+	128.14337	145.5
[M+K]+	149.07271	140.1
[M+H-H2O]+	93.106810	132.2
[M+HCOO]-	155.10775	145.2
[M+CH3COO]-	169.12340	215.7
[M+Na-2H]-	131.08422	137.4
[M]+	110.10900	133.3
[M]-	110.11010	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe