CID 137829

1-cyclohexylethanol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC(C1CCCCC1)O

InChI

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

InChIKey

JMSUNAQVHOHLMX-UHFFFAOYSA-N

Compound name

1-cyclohexylethanol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5
References: 3418
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]+	129.127396	129.5
[M+Na]+	151.109338	133.5
[M-H]-	127.112844	130.8
[M+NH4]+	146.153943	150.6
[M+K]+	167.083278	132.7
[M+H-H2O]+	111.117380	124.5
[M+HCOO]-	173.118321	147.7
[M+CH3COO]-	187.133971	169.6
[M+Na-2H]-	149.094786	133.5
[M]+	128.11957142	123.6
[M]-	128.12066858	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe