CID 90066

23328-60-1

Structural Information

Molecular Formula

C₁₈H₃₆O₅

SMILES

CCCCCCCCCCCC(=O)OCCOCCOCCO

InChI

InChI=1S/C18H36O5/c1-2-3-4-5-6-7-8-9-10-11-18(20)23-17-16-22-15-14-21-13-12-19/h19H,2-17H2,1H3

InChIKey

JPFNYQCURDHMDY-UHFFFAOYSA-N

Compound name

2-[2-(2-hydroxyethoxy)ethoxy]ethyl dodecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 332.2563 Da
Monoisotopic Mass: 4.3
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]+	333.263576	187.1
[M+Na]+	355.245518	188.7
[M-H]-	331.249024	183.6
[M+NH4]+	350.290123	200.2
[M+K]+	371.219458	186.8
[M+H-H2O]+	315.253560	179.7
[M+HCOO]-	377.254501	205.8
[M+CH3COO]-	391.270151	209.5
[M+Na-2H]-	353.230966	186.2
[M]+	332.25575142	196.8
[M]-	332.25684858	196.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe