CID 137910

Glyceryl 2-caprate

Structural Information

Molecular Formula

C₁₃H₂₆O₄

SMILES

CCCCCCCCCC(=O)OC(CO)CO

InChI

InChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-12(10-14)11-15/h12,14-15H,2-11H2,1H3

InChIKey

IYVVKFYDGRJWTR-UHFFFAOYSA-N

Compound name

1,3-dihydroxypropan-2-yl decanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 905
Patents: 246.1831 Da
Monoisotopic Mass: 2.9
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]+	247.19038	161.6
[M+Na]+	269.17232	168.1
[M+NH4]+	264.21692	166.2
[M+K]+	285.14626	163.7
[M-H]-	245.17582	158.0
[M+Na-2H]-	267.15777	160.9
[M]+	246.18255	160.9
[M]-	246.18365	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe