CID 137699048

2-ethynylbicyclo[2.2.2]octane

Structural Information

Molecular Formula

C₁₀H₁₄

SMILES

C#CC1CC2CCC1CC2

InChI

InChI=1S/C10H14/c1-2-9-7-8-3-5-10(9)6-4-8/h1,8-10H,3-7H2

InChIKey

YQEKDYRLRMUPKC-UHFFFAOYSA-N

Compound name

2-ethynylbicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 134.10954 Da
Monoisotopic Mass: 3.4
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]+	135.11682	136.6
[M+Na]+	157.09876	147.3
[M+NH4]+	152.14336	144.7
[M+K]+	173.07270	136.2
[M-H]-	133.10226	128.5
[M+Na-2H]-	155.08421	133.3
[M]+	134.10899	135.0
[M]-	134.11009	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.