CID 73772

Cyclohexyl valerate

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CCCCC(=O)OC1CCCCC1

InChI

InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3

InChIKey

YLCHTSSXNSNXSW-UHFFFAOYSA-N

Compound name

cyclohexyl pentanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 218
Patents: 184.14633 Da
Monoisotopic Mass: 3.3
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]+	185.15361	144.3
[M+Na]+	207.13555	153.9
[M+NH4]+	202.18015	152.5
[M+K]+	223.10949	147.6
[M-H]-	183.13905	145.7
[M+Na-2H]-	205.12100	148.4
[M]+	184.14578	145.8
[M]-	184.14688	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe