CID 88259

19812-60-3

Structural Information

Molecular Formula

C₁₁H₂₀O₆

SMILES

C=CC(=O)OCCOCCOCCOCCO

InChI

InChI=1S/C11H20O6/c1-2-11(13)17-10-9-16-8-7-15-6-5-14-4-3-12/h2,12H,1,3-10H2

InChIKey

QUASZQPLPKGIJY-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1507
Patents: 248.12599 Da
Monoisotopic Mass: -0.4
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]+	249.133266	156.0
[M+Na]+	271.115208	160.8
[M-H]-	247.118714	153.8
[M+NH4]+	266.159813	172.3
[M+K]+	287.089148	160.6
[M+H-H2O]+	231.123250	149.8
[M+HCOO]-	293.124191	177.4
[M+CH3COO]-	307.139841	190.0
[M+Na-2H]-	269.100656	158.9
[M]+	248.12544142	163.9
[M]-	248.12653858	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe