CID 5312739

9-hydroxy-2e-decenoic acid

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC(CCCCC/C=C/C(=O)O)O

InChI

InChI=1S/C10H18O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8-9,11H,2-5,7H2,1H3,(H,12,13)/b8-6+

InChIKey

DZBLNYYGAKHAOJ-SOFGYWHQSA-N

Compound name

(E)-9-hydroxydec-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 186.1256 Da
Monoisotopic Mass: 2.1
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]+	187.13288	145.6
[M+Na]+	209.11482	150.5
[M-H]-	185.11832	142.5
[M+NH4]+	204.15942	164.0
[M+K]+	225.08876	148.5
[M+H-H2O]+	169.12286	140.8
[M+HCOO]-	231.12380	164.2
[M+CH3COO]-	245.13945	179.1
[M+Na-2H]-	207.10027	147.0
[M]+	186.12505	146.1
[M]-	186.12615	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe