CID 56936044

6-hydroxy-4-undecanolide

Structural Information

Molecular Formula

C₁₁H₂₀O₃

SMILES

CCCCCC(CC1CCC(=O)O1)O

InChI

InChI=1S/C11H20O3/c1-2-3-4-5-9(12)8-10-6-7-11(13)14-10/h9-10,12H,2-8H2,1H3

InChIKey

GNPDQWWIALTIDQ-UHFFFAOYSA-N

Compound name

5-(2-hydroxyheptyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 200.14125 Da
Monoisotopic Mass: 2.3
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]+	201.14853	148.4
[M+Na]+	223.13047	153.2
[M-H]-	199.13397	150.3
[M+NH4]+	218.17507	167.3
[M+K]+	239.10441	152.7
[M+H-H2O]+	183.13851	143.1
[M+HCOO]-	245.13945	167.4
[M+CH3COO]-	259.15510	182.7
[M+Na-2H]-	221.11592	149.9
[M]+	200.14070	148.9
[M]-	200.14180	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe