CID 50280

Peg-25 glyceryl trioleate

Structural Information

Molecular Formula

C₁₂H₂₀O₆

SMILES

CC(=O)COCC(COCC(=O)C)OCC(=O)C

InChI

InChI=1S/C12H20O6/c1-9(13)4-16-7-12(18-6-11(3)15)8-17-5-10(2)14/h12H,4-8H2,1-3H3

InChIKey

AOWCOHYBGYRYGE-UHFFFAOYSA-N

Compound name

1-[2,3-bis(2-oxopropoxy)propoxy]propan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2016
Patents: 260.12598 Da
Monoisotopic Mass: -0.9
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]+	261.13326	158.8
[M+Na]+	283.11520	163.3
[M-H]-	259.11870	158.3
[M+NH4]+	278.15980	175.1
[M+K]+	299.08914	164.6
[M+H-H2O]+	243.12324	152.9
[M+HCOO]-	305.12418	178.8
[M+CH3COO]-	319.13983	197.9
[M+Na-2H]-	281.10065	158.2
[M]+	260.12543	166.5
[M]-	260.12653	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe