CID 78293

4-ethylcyclohexanol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CCC1CCC(CC1)O

InChI

InChI=1S/C8H16O/c1-2-7-3-5-8(9)6-4-7/h7-9H,2-6H2,1H3

InChIKey

RVTKUJWGFBADIN-UHFFFAOYSA-N

Compound name

4-ethylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1162
Patents: 128.12012 Da
Monoisotopic Mass: 2.3
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]+	129.12740	128.5
[M+Na]+	151.10934	133.7
[M-H]-	127.11284	130.2
[M+NH4]+	146.15394	150.1
[M+K]+	167.08328	132.5
[M+H-H2O]+	111.11738	123.7
[M+HCOO]-	173.11832	147.8
[M+CH3COO]-	187.13397	169.9
[M+Na-2H]-	149.09479	133.1
[M]+	128.11957	123.7
[M]-	128.12067	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe