CID 79686

10-oxodecanoic acid

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

C(CCCCC(=O)O)CCCC=O

InChI

InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h9H,1-8H2,(H,12,13)

InChIKey

FYURGFQVSMALOD-UHFFFAOYSA-N

Compound name

10-oxodecanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 249
Patents: 186.1256 Da
Monoisotopic Mass: 2.3
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	144.2
[M+Na]+	209.11482	149.6
[M-H]-	185.11832	142.4
[M+NH4]+	204.15942	163.2
[M+K]+	225.08876	148.1
[M+H-H2O]+	169.12286	139.0
[M+HCOO]-	231.12380	165.3
[M+CH3COO]-	245.13945	181.5
[M+Na-2H]-	207.10027	147.4
[M]+	186.12505	147.4
[M]-	186.12615	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe