CID 131802116

Dg(10:0/15:0/0:0)

Structural Information

Molecular Formula

C₂₈H₅₄O₅

SMILES

CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC

InChI

InChI=1S/C28H54O5/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-28(31)33-26(24-29)25-32-27(30)22-20-18-16-10-8-6-4-2/h26,29H,3-25H2,1-2H3/t26-/m0/s1

InChIKey

YAVZCNJPCYKCLI-SANMLTNESA-N

Compound name

[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] pentadecanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 470.39713 Da
Monoisotopic Mass: 10.3
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]+	471.404406	228.5
[M+Na]+	493.386348	234.4
[M-H]-	469.389854	217.3
[M+NH4]+	488.430953	230.6
[M+K]+	509.360288	232.7
[M+H-H2O]+	453.394390	229.5
[M+HCOO]-	515.395331	233.4
[M+CH3COO]-	529.410981	238.7
[M+Na-2H]-	491.371796	215.5
[M]+	470.39658142	228.5
[M]-	470.39767858	228.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.