CID 1825

5-hydroxydecanoic acid

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CCCCCC(CCCC(=O)O)O

InChI

InChI=1S/C10H20O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)

InChIKey

LMHJFKYQYDSOQO-UHFFFAOYSA-N

Compound name

5-hydroxydecanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 800
References: 3620
Patents: 188.14125 Da
Monoisotopic Mass: 2.2
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]+	189.14853	145.5
[M+Na]+	211.13047	153.1
[M+NH4]+	206.17507	151.3
[M+K]+	227.10441	148.9
[M-H]-	187.13397	142.7
[M+Na-2H]-	209.11592	146.1
[M]+	188.14070	145.3
[M]-	188.14180	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe