CID 54516149

6-hydroxy-4-dodecanolide

Structural Information

Molecular Formula

C₁₂H₂₂O₃

SMILES

CCCCCCC(CC1CCC(=O)O1)O

InChI

InChI=1S/C12H22O3/c1-2-3-4-5-6-10(13)9-11-7-8-12(14)15-11/h10-11,13H,2-9H2,1H3

InChIKey

YMOFCPXBTKJSSO-UHFFFAOYSA-N

Compound name

5-(2-hydroxyoctyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.15689 Da
Monoisotopic Mass: 2.5
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]+	215.16417	153.1
[M+Na]+	237.14611	157.5
[M-H]-	213.14961	154.8
[M+NH4]+	232.19071	171.4
[M+K]+	253.12005	156.7
[M+H-H2O]+	197.15415	147.6
[M+HCOO]-	259.15509	171.8
[M+CH3COO]-	273.17074	185.7
[M+Na-2H]-	235.13156	154.0
[M]+	214.15634	153.9
[M]-	214.15744	153.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.