CID 74300

10-hydroxydecanoic acid

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

C(CCCCC(=O)O)CCCCO

InChI

InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)

InChIKey

YJCJVMMDTBEITC-UHFFFAOYSA-N

Compound name

10-hydroxydecanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 30
References: 6738
Patents: 188.14125 Da
Monoisotopic Mass: 2.5
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	146.5
[M+Na]+	211.13047	151.2
[M-H]-	187.13397	143.2
[M+NH4]+	206.17507	164.8
[M+K]+	227.10441	149.3
[M+H-H2O]+	171.13851	141.4
[M+HCOO]-	233.13945	165.9
[M+CH3COO]-	247.15510	179.8
[M+Na-2H]-	209.11592	149.1
[M]+	188.14070	148.5
[M]-	188.14180	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe