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: 1
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]+	187.13288	142.2
[M+Na]+	209.11482	150.6
[M+NH4]+	204.15942	149.4
[M+K]+	225.08876	146.7
[M-H]-	185.11832	141.8
[M+Na-2H]-	207.10027	145.4
[M]+	186.12505	143.0
[M]-	186.12615	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe