CID 549157

2-[1-(hydroxymethyl)cyclohexyl]ethan-1-ol

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

C1CCC(CC1)(CCO)CO

InChI

InChI=1S/C9H18O2/c10-7-6-9(8-11)4-2-1-3-5-9/h10-11H,1-8H2

InChIKey

INUWAALKYXUUGF-UHFFFAOYSA-N

Compound name

2-[1-(hydroxymethyl)cyclohexyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 158.13068 Da
Monoisotopic Mass: 1.4
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]+	159.13796	136.9
[M+Na]+	181.11990	146.3
[M+NH4]+	176.16450	146.6
[M+K]+	197.09384	138.7
[M-H]-	157.12340	137.8
[M+Na-2H]-	179.10535	142.4
[M]+	158.13013	138.4
[M]-	158.13123	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe