CID 69346

5-oxodecanoic acid

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CCCCCC(=O)CCCC(=O)O

InChI

InChI=1S/C10H18O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h2-8H2,1H3,(H,12,13)

InChIKey

SDKDCMWTAOZNGB-UHFFFAOYSA-N

Compound name

5-oxodecanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 123
Patents: 186.1256 Da
Monoisotopic Mass: 1.6
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	144.3
[M+Na]+	209.11482	152.5
[M+NH4]+	204.15942	150.1
[M+K]+	225.08876	147.9
[M-H]-	185.11832	141.7
[M+Na-2H]-	207.10027	145.4
[M]+	186.12505	144.3
[M]-	186.12615	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe