CID 140587

Ethylidenecyclooctane

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

CC=C1CCCCCCC1

InChI

InChI=1S/C10H18/c1-2-10-8-6-4-3-5-7-9-10/h2H,3-9H2,1H3

InChIKey

WSOKCFIRHYCWJE-UHFFFAOYSA-N

Compound name

ethylidenecyclooctane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 138.14085 Da
Monoisotopic Mass: 3.9
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]+	139.148126	141.9
[M+Na]+	161.130068	145.7
[M-H]-	137.133574	143.4
[M+NH4]+	156.174673	151.7
[M+K]+	177.104008	146.0
[M+H-H2O]+	121.138110	138.7
[M+HCOO]-	183.139051	150.9
[M+CH3COO]-	197.154701	218.2
[M+Na-2H]-	159.115516	142.5
[M]+	138.14030142	139.3
[M]-	138.14139858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe