CID 70291856

2-cyclohexyl-2-ethoxyaceticacid

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CCOC(C1CCCCC1)C(=O)O

InChI

InChI=1S/C10H18O3/c1-2-13-9(10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,11,12)

InChIKey

QOLYWZBRASBMKV-UHFFFAOYSA-N

Compound name

2-cyclohexyl-2-ethoxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 186.1256 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]+	187.132876	143.4
[M+Na]+	209.114818	146.5
[M-H]-	185.118324	144.3
[M+NH4]+	204.159423	161.9
[M+K]+	225.088758	146.0
[M+H-H2O]+	169.122860	137.7
[M+HCOO]-	231.123801	160.6
[M+CH3COO]-	245.139451	179.7
[M+Na-2H]-	207.100266	145.1
[M]+	186.12505142	139.8
[M]-	186.12614858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe