CID 5312737

7-hydroxydecanoic acid

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CCCC(CCCCCC(=O)O)O

InChI

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

InChIKey

BUAGALXJUKFYCZ-UHFFFAOYSA-N

Compound name

7-hydroxydecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 188.14125 Da
Monoisotopic Mass: 2.0
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	147.0
[M+Na]+	211.13047	151.5
[M-H]-	187.13397	143.8
[M+NH4]+	206.17507	165.3
[M+K]+	227.10441	150.1
[M+H-H2O]+	171.13851	142.0
[M+HCOO]-	233.13945	165.4
[M+CH3COO]-	247.15510	180.7
[M+Na-2H]-	209.11592	148.3
[M]+	188.14070	148.3
[M]-	188.14180	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe