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: 1823
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]+	329.30504	189.1
[M+Na]+	351.28698	194.7
[M+NH4]+	346.33158	193.2
[M+K]+	367.26092	188.1
[M-H]-	327.29048	185.8
[M+Na-2H]-	349.27243	187.2
[M]+	328.29721	188.5
[M]-	328.29831	188.5

Literature stripe

literature stripe

Patent stripe

patents stripe