CID 98026

70092-43-2

Structural Information

Molecular Formula

C₁₁H₂₂O₂

SMILES

CCCCCOC1CCCCC1O

InChI

InChI=1S/C11H22O2/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h10-12H,2-9H2,1H3

InChIKey

BSHPGCHSGNTBBX-UHFFFAOYSA-N

Compound name

2-pentoxycyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 186.16199 Da
Monoisotopic Mass: 2.5
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]+	187.169266	145.4
[M+Na]+	209.151208	149.2
[M-H]-	185.154714	146.4
[M+NH4]+	204.195813	164.5
[M+K]+	225.125148	147.7
[M+H-H2O]+	169.159250	139.7
[M+HCOO]-	231.160191	163.8
[M+CH3COO]-	245.175841	181.0
[M+Na-2H]-	207.136656	148.3
[M]+	186.16144142	143.1
[M]-	186.16253858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe