CID 21895925

(1-methoxycyclohexyl)methanol

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

COC1(CCCCC1)CO

InChI

InChI=1S/C8H16O2/c1-10-8(7-9)5-3-2-4-6-8/h9H,2-7H2,1H3

InChIKey

ZZOCIZAHEZVEQG-UHFFFAOYSA-N

Compound name

(1-methoxycyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 144.11504 Da
Monoisotopic Mass: 1.0
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]+	145.12232	132.2
[M+Na]+	167.10426	142.3
[M+NH4]+	162.14886	142.4
[M+K]+	183.07820	134.7
[M-H]-	143.10776	133.6
[M+Na-2H]-	165.08971	138.6
[M]+	144.11449	134.0
[M]-	144.11559	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe