CID 20748

Methyl cyclohexanecarboxylate

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

COC(=O)C1CCCCC1

InChI

InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChIKey

ZQWPRMPSCMSAJU-UHFFFAOYSA-N

Compound name

methyl cyclohexanecarboxylate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 5448
Patents: 142.09938 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]+	143.10666	131.0
[M+Na]+	165.08860	141.2
[M+NH4]+	160.13320	139.8
[M+K]+	181.06254	135.7
[M-H]-	141.09210	132.5
[M+Na-2H]-	163.07405	135.9
[M]+	142.09883	132.6
[M]-	142.09993	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe