CID 131802117

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

Structural Information

Molecular Formula

C₂₈H₅₄O₅

SMILES

CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCC(C)C

InChI

InChI=1S/C28H54O5/c1-4-5-6-7-11-15-18-21-27(30)32-24-26(23-29)33-28(31)22-19-16-13-10-8-9-12-14-17-20-25(2)3/h25-26,29H,4-24H2,1-3H3/t26-/m0/s1

InChIKey

SVCQVHROHRDUJG-SANMLTNESA-N

Compound name

[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] 13-methyltetradecanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 470.39713 Da
Monoisotopic Mass: 10.0
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]+	471.404406	227.9
[M+Na]+	493.386348	234.3
[M-H]-	469.389854	218.3
[M+NH4]+	488.430953	231.7
[M+K]+	509.360288	233.2
[M+H-H2O]+	453.394390	229.6
[M+HCOO]-	515.395331	230.5
[M+CH3COO]-	529.410981	239.4
[M+Na-2H]-	491.371796	215.7
[M]+	470.39658142	228.0
[M]-	470.39767858	228.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.