CID 105431045

2-cyclohexyl-2-methoxyethan-1-ol

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

COC(CO)C1CCCCC1

InChI

InChI=1S/C9H18O2/c1-11-9(7-10)8-5-3-2-4-6-8/h8-10H,2-7H2,1H3

InChIKey

LNALEAXSEZHKAD-UHFFFAOYSA-N

Compound name

2-cyclohexyl-2-methoxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 158.13068 Da
Monoisotopic Mass: 1.8
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	137.2
[M+Na]+	181.11990	140.7
[M-H]-	157.12340	138.3
[M+NH4]+	176.16450	157.0
[M+K]+	197.09384	140.1
[M+H-H2O]+	141.12794	131.7
[M+HCOO]-	203.12888	155.3
[M+CH3COO]-	217.14453	174.7
[M+Na-2H]-	179.10535	140.6
[M]+	158.13013	133.1
[M]-	158.13123	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe