CID 76657

1,1-cyclohexanediethanol

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

C1CCC(CC1)(CCO)CCO

InChI

InChI=1S/C10H20O2/c11-8-6-10(7-9-12)4-2-1-3-5-10/h11-12H,1-9H2

InChIKey

WFUUAJVRMXKBBI-UHFFFAOYSA-N

Compound name

2-[1-(2-hydroxyethyl)cyclohexyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1305
Patents: 172.14633 Da
Monoisotopic Mass: 2.2
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]+	173.15361	142.0
[M+Na]+	195.13555	145.9
[M-H]-	171.13905	141.8
[M+NH4]+	190.18015	162.6
[M+K]+	211.10949	143.8
[M+H-H2O]+	155.14359	137.4
[M+HCOO]-	217.14453	159.2
[M+CH3COO]-	231.16018	173.8
[M+Na-2H]-	193.12100	146.7
[M]+	172.14578	137.4
[M]-	172.14688	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe