CID 22074297

Trans-4-ethynylcyclohexan-1-ol

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C#CC1CCC(CC1)O

InChI

InChI=1S/C8H12O/c1-2-7-3-5-8(9)6-4-7/h1,7-9H,3-6H2

InChIKey

XZDCGONRANCJLK-UHFFFAOYSA-N

Compound name

4-ethynylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 124.08881 Da
Monoisotopic Mass: 1.2
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]+	125.09609	127.3
[M+Na]+	147.07803	138.1
[M+NH4]+	142.12263	132.8
[M+K]+	163.05197	129.1
[M-H]-	123.08153	121.1
[M+Na-2H]-	145.06348	129.6
[M]+	124.08826	126.1
[M]-	124.08936	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe