CID 85394

Ethanol, 2,2'-[1,4-cyclohexanediylbis(oxy)]bis-

Structural Information

Molecular Formula

C₁₀H₂₀O₄

SMILES

C1CC(CCC1OCCO)OCCO

InChI

InChI=1S/C10H20O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h9-12H,1-8H2

InChIKey

LBTDHCQNAQRHCE-UHFFFAOYSA-N

Compound name

2-[4-(2-hydroxyethoxy)cyclohexyl]oxyethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1468
Patents: 204.13615 Da
Monoisotopic Mass: -0.1
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]+	205.143426	146.7
[M+Na]+	227.125368	150.4
[M-H]-	203.128874	146.4
[M+NH4]+	222.169973	164.2
[M+K]+	243.099308	149.2
[M+H-H2O]+	187.133410	140.9
[M+HCOO]-	249.134351	164.4
[M+CH3COO]-	263.150001	179.6
[M+Na-2H]-	225.110816	149.8
[M]+	204.13560142	145.1
[M]-	204.13669858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe