CID 56936047

6-hydroxy-4-tridecanolide

Structural Information

Molecular Formula

C₁₃H₂₄O₃

SMILES

CCCCCCCC(CC1CCC(=O)O1)O

InChI

InChI=1S/C13H24O3/c1-2-3-4-5-6-7-11(14)10-12-8-9-13(15)16-12/h11-12,14H,2-10H2,1H3

InChIKey

YVBBRRDESNXXTK-UHFFFAOYSA-N

Compound name

5-(2-hydroxynonyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.17255 Da
Monoisotopic Mass: 3.0
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]+	229.179826	157.7
[M+Na]+	251.161768	161.7
[M-H]-	227.165274	159.3
[M+NH4]+	246.206373	175.5
[M+K]+	267.135708	160.7
[M+H-H2O]+	211.169810	152.1
[M+HCOO]-	273.170751	176.1
[M+CH3COO]-	287.186401	188.7
[M+Na-2H]-	249.147216	158.1
[M]+	228.17200142	158.9
[M]-	228.17309858	158.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.