CID 30771

2-cyclohexylethyl acetate

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC(=O)OCCC1CCCCC1

InChI

InChI=1S/C10H18O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3

InChIKey

NOTFZGFABLVTIG-UHFFFAOYSA-N

Compound name

2-cyclohexylethyl acetate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 10
References: 8110
Patents: 170.13068 Da
Monoisotopic Mass: 3.2
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]+	171.137956	139.9
[M+Na]+	193.119898	143.8
[M-H]-	169.123404	142.3
[M+NH4]+	188.164503	160.0
[M+K]+	209.093838	143.3
[M+H-H2O]+	153.127940	134.1
[M+HCOO]-	215.128881	159.4
[M+CH3COO]-	229.144531	178.8
[M+Na-2H]-	191.105346	143.3
[M]+	170.13013142	137.3
[M]-	170.13122858	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe