CID 120922

4-(cyclohexyloxy)-4-oxobutanoic acid

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

C1CCC(CC1)OC(=O)CCC(=O)O

InChI

InChI=1S/C10H16O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)

InChIKey

CQBVVSONJDUVEJ-UHFFFAOYSA-N

Compound name

4-cyclohexyloxy-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 200.10486 Da
Monoisotopic Mass: 1.4
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]+	201.11214	145.2
[M+Na]+	223.09408	153.1
[M+NH4]+	218.13868	151.6
[M+K]+	239.06802	149.2
[M-H]-	199.09758	144.4
[M+Na-2H]-	221.07953	147.5
[M]+	200.10431	145.6
[M]-	200.10541	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe