CID 5225199

2-hydroxyarachidate

Structural Information

Molecular Formula

C₂₀H₄₀O₃

SMILES

CCCCCCCCCCCCCCCCCCC(C(=O)O)O

InChI

InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h19,21H,2-18H2,1H3,(H,22,23)

InChIKey

CPLYLXYEVLGWFJ-UHFFFAOYSA-N

Compound name

2-hydroxyicosanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1834
Patents: 328.29776 Da
Monoisotopic Mass: 8.5
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]+	329.305036	192.1
[M+Na]+	351.286978	192.4
[M-H]-	327.290484	186.9
[M+NH4]+	346.331583	204.6
[M+K]+	367.260918	188.4
[M+H-H2O]+	311.295020	185.2
[M+HCOO]-	373.295961	207.1
[M+CH3COO]-	387.311611	210.5
[M+Na-2H]-	349.272426	188.1
[M]+	328.29721142	197.1
[M]-	328.29830858	197.1

Literature stripe

literature stripe

Patent stripe

patents stripe