CID 106758

1,4-cyclohexanedimethanol, 1-ethyl-

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCC1(CCC(CC1)CO)CO

InChI

InChI=1S/C10H20O2/c1-2-10(8-12)5-3-9(7-11)4-6-10/h9,11-12H,2-8H2,1H3

InChIKey

JYQMOHNWAKXCDM-UHFFFAOYSA-N

Compound name

[4-ethyl-4-(hydroxymethyl)cyclohexyl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 25
Patents: 172.14633 Da
Monoisotopic Mass: 1.3
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	140.5
[M+Na]+	195.13555	150.0
[M+NH4]+	190.18015	150.0
[M+K]+	211.10949	142.4
[M-H]-	171.13905	141.4
[M+Na-2H]-	193.12100	145.6
[M]+	172.14578	142.0
[M]-	172.14688	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe