CID 88411

2-(hexyloxy)ethyl laurate

Structural Information

Molecular Formula

C₂₀H₄₀O₃

SMILES

CCCCCCCCCCCC(=O)OCCOCCCCCC

InChI

InChI=1S/C20H40O3/c1-3-5-7-9-10-11-12-13-14-16-20(21)23-19-18-22-17-15-8-6-4-2/h3-19H2,1-2H3

InChIKey

CYESQOILIGXMLD-UHFFFAOYSA-N

Compound name

2-hexoxyethyl dodecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 328.29776 Da
Monoisotopic Mass: 7.5
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]+	329.30504	191.0
[M+Na]+	351.28698	192.5
[M-H]-	327.29048	188.7
[M+NH4]+	346.33158	205.2
[M+K]+	367.26092	189.9
[M+H-H2O]+	311.29502	183.6
[M+HCOO]-	373.29596	210.1
[M+CH3COO]-	387.31161	214.3
[M+Na-2H]-	349.27243	189.3
[M]+	328.29721	200.6
[M]-	328.29831	200.6

Literature stripe

literature stripe

Patent stripe

patents stripe