CID 175125

72727-61-8

Structural Information

Molecular Formula

C₁₁H₂₀O₃

SMILES

CC(COC1CCCCC1)OC(=O)C

InChI

InChI=1S/C11H20O3/c1-9(14-10(2)12)8-13-11-6-4-3-5-7-11/h9,11H,3-8H2,1-2H3

InChIKey

KALNAECRVKZDPI-UHFFFAOYSA-N

Compound name

1-cyclohexyloxypropan-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.14125 Da
Monoisotopic Mass: 2.2
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]+	201.14853	147.6
[M+Na]+	223.13047	150.8
[M-H]-	199.13397	149.8
[M+NH4]+	218.17507	166.3
[M+K]+	239.10441	151.0
[M+H-H2O]+	183.13851	141.5
[M+HCOO]-	245.13945	166.0
[M+CH3COO]-	259.15510	184.7
[M+Na-2H]-	221.11592	149.2
[M]+	200.14070	146.2
[M]-	200.14180	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe