CID 4277820

5686-96-4

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CCC(CC1)(C#CCO)O

InChI

InChI=1S/C9H14O2/c10-8-4-7-9(11)5-2-1-3-6-9/h10-11H,1-3,5-6,8H2

InChIKey

IACPYUXMRKYCDO-UHFFFAOYSA-N

Compound name

1-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.09938 Da
Monoisotopic Mass: 0.5
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]+	155.10666	136.1
[M+Na]+	177.08860	144.2
[M-H]-	153.09210	135.8
[M+NH4]+	172.13320	155.5
[M+K]+	193.06254	139.5
[M+H-H2O]+	137.09664	126.2
[M+HCOO]-	199.09758	149.0
[M+CH3COO]-	213.11323	177.3
[M+Na-2H]-	175.07405	140.8
[M]+	154.09883	125.9
[M]-	154.09993	125.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.