CID 130125022

1823336-75-9

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

CC1(CCC(CC1)CCO)O

InChI

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

InChIKey

GRLYZCBIETWTTD-UHFFFAOYSA-N

Compound name

4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 158.13068 Da
Monoisotopic Mass: 0.9
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	136.1
[M+Na]+	181.11990	145.8
[M+NH4]+	176.16450	145.8
[M+K]+	197.09384	138.5
[M-H]-	157.12340	137.0
[M+Na-2H]-	179.10535	141.4
[M]+	158.13013	137.7
[M]-	158.13123	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe