CID 5312744

9-hydroxylaurate

Structural Information

Molecular Formula

C₁₂H₂₄O₃

SMILES

CCCC(CCCCCCCC(=O)O)O

InChI

InChI=1S/C12H24O3/c1-2-8-11(13)9-6-4-3-5-7-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)

InChIKey

XKNUGGWMUJBFJT-UHFFFAOYSA-N

Compound name

9-hydroxydodecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 70
Patents: 216.17255 Da
Monoisotopic Mass: 3.1
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]+	217.17983	154.3
[M+Na]+	239.16177	161.5
[M+NH4]+	234.20637	159.7
[M+K]+	255.13571	156.8
[M-H]-	215.16527	151.4
[M+Na-2H]-	237.14722	154.4
[M]+	216.17200	154.0
[M]-	216.17310	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe