CID 18783826

880104-40-5

Structural Information

Molecular Formula

C₁₁H₁₈O₄

SMILES

CCOC(=O)CC1CCC(CC1)C(=O)O

InChI

InChI=1S/C11H18O4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h8-9H,2-7H2,1H3,(H,13,14)

InChIKey

MHKFPZVBEMBDHC-UHFFFAOYSA-N

Compound name

4-(2-ethoxy-2-oxoethyl)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 214.12051 Da
Monoisotopic Mass: 1.8
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]+	215.12779	148.9
[M+Na]+	237.10973	157.0
[M+NH4]+	232.15433	155.1
[M+K]+	253.08367	153.1
[M-H]-	213.11323	148.2
[M+Na-2H]-	235.09518	150.8
[M]+	214.11996	149.3
[M]-	214.12106	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe