CID 3086321

91007-35-1

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

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

InChI

InChI=1S/C10H18O3/c1-10(2,9(11)12)13-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,11,12)

InChIKey

OKFRDMBIDGPCCX-UHFFFAOYSA-N

Compound name

2-cyclohexyloxy-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 186.1256 Da
Monoisotopic Mass: 2.1
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	142.4
[M+Na]+	209.114818	146.2
[M-H]-	185.118324	143.6
[M+NH4]+	204.159423	161.1
[M+K]+	225.088758	145.7
[M+H-H2O]+	169.122860	137.4
[M+HCOO]-	231.123801	159.1
[M+CH3COO]-	245.139451	179.2
[M+Na-2H]-	207.100266	146.2
[M]+	186.12505142	139.1
[M]-	186.12614858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe