CID 13580494

Ethyl 5-hydroxydecanoate

Structural Information

Molecular Formula

C₁₂H₂₄O₃

SMILES

CCCCCC(CCCC(=O)OCC)O

InChI

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

InChIKey

JZHPHZPSKLWKPM-UHFFFAOYSA-N

Compound name

ethyl 5-hydroxydecanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 166
Patents: 216.17255 Da
Monoisotopic Mass: 2.8
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	153.9
[M+Na]+	239.16177	161.7
[M+NH4]+	234.20637	159.7
[M+K]+	255.13571	156.7
[M-H]-	215.16527	151.5
[M+Na-2H]-	237.14722	154.6
[M]+	216.17200	153.9
[M]-	216.17310	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe