CID 3063027

Mg 6859

Structural Information

Molecular Formula

C₁₁H₂₀O₃

SMILES

CC(C)(C(=O)OC)OC1CCCCC1

InChI

InChI=1S/C11H20O3/c1-11(2,10(12)13-3)14-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3

InChIKey

SDNPQLMZHMAJHX-UHFFFAOYSA-N

Compound name

methyl 2-cyclohexyloxy-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.14125 Da
Monoisotopic Mass: 2.4
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]+	201.148526	146.5
[M+Na]+	223.130468	150.5
[M-H]-	199.133974	149.0
[M+NH4]+	218.175073	165.5
[M+K]+	239.104408	150.6
[M+H-H2O]+	183.138510	141.1
[M+HCOO]-	245.139451	164.4
[M+CH3COO]-	259.155101	184.2
[M+Na-2H]-	221.115916	150.3
[M]+	200.14070142	145.4
[M]-	200.14179858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.