CID 93331

Vinylcyclooctane

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

C=CC1CCCCCCC1

InChI

InChI=1S/C10H18/c1-2-10-8-6-4-3-5-7-9-10/h2,10H,1,3-9H2

InChIKey

UPHVHMSLLBDZEV-UHFFFAOYSA-N

Compound name

ethenylcyclooctane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 666
Patents: 138.14085 Da
Monoisotopic Mass: 4.7
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	141.8
[M+Na]+	161.130068	145.6
[M-H]-	137.133574	143.3
[M+NH4]+	156.174673	151.6
[M+K]+	177.104008	145.9
[M+H-H2O]+	121.138110	138.6
[M+HCOO]-	183.139051	150.8
[M+CH3COO]-	197.154701	218.5
[M+Na-2H]-	159.115516	142.5
[M]+	138.14030142	139.3
[M]-	138.14139858	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe