CID 80477

Diethylene glycol dilaurate

Structural Information

Molecular Formula

C₂₈H₅₄O₅

SMILES

CCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCC

InChI

InChI=1S/C28H54O5/c1-3-5-7-9-11-13-15-17-19-21-27(29)32-25-23-31-24-26-33-28(30)22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3

InChIKey

FZGBADVTTLOFPU-UHFFFAOYSA-N

Compound name

2-(2-dodecanoyloxyethoxy)ethyl dodecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 706
Patents: 470.39713 Da
Monoisotopic Mass: 10.2
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]+	471.40441	229.6
[M+Na]+	493.38635	236.0
[M-H]-	469.38985	217.3
[M+NH4]+	488.43095	232.5
[M+K]+	509.36029	233.8
[M+H-H2O]+	453.39439	231.3
[M+HCOO]-	515.39533	238.6
[M+CH3COO]-	529.41098	240.4
[M+Na-2H]-	491.37180	216.9
[M]+	470.39658	230.9
[M]-	470.39768	230.9

Literature stripe

literature stripe

Patent stripe

patents stripe