CID 16021

1-ethylcyclohexanol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CCC1(CCCCC1)O

InChI

InChI=1S/C8H16O/c1-2-8(9)6-4-3-5-7-8/h9H,2-7H2,1H3

InChIKey

BUCJHJXFXUZJHL-UHFFFAOYSA-N

Compound name

1-ethylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 2331
Patents: 128.12012 Da
Monoisotopic Mass: 2.1
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]+	129.127396	129.0
[M+Na]+	151.109338	134.2
[M-H]-	127.112844	130.7
[M+NH4]+	146.153943	152.3
[M+K]+	167.083278	133.2
[M+H-H2O]+	111.117380	124.8
[M+HCOO]-	173.118321	148.3
[M+CH3COO]-	187.133971	168.3
[M+Na-2H]-	149.094786	135.4
[M]+	128.11957142	124.1
[M]-	128.12066858	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe