CID 84111966

1603431-09-9

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

COC(CC1CCCCC1)C(=O)O

InChI

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

InChIKey

AAXJRFKHUCGRQN-UHFFFAOYSA-N

Compound name

3-cyclohexyl-2-methoxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.1256 Da
Monoisotopic Mass: 2.8
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]+	187.13288	143.4
[M+Na]+	209.11482	146.5
[M-H]-	185.11832	144.3
[M+NH4]+	204.15942	161.9
[M+K]+	225.08876	146.0
[M+H-H2O]+	169.12286	137.7
[M+HCOO]-	231.12380	160.6
[M+CH3COO]-	245.13945	179.7
[M+Na-2H]-	207.10027	145.1
[M]+	186.12505	139.8
[M]-	186.12615	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.