CID 3016441

45180-95-8

Structural Information

Molecular Formula

C₁₁H₂₀O₅

SMILES

CCOCCOCCOCCOC(=O)C=C

InChI

InChI=1S/C11H20O5/c1-3-11(12)16-10-9-15-8-7-14-6-5-13-4-2/h3H,1,4-10H2,2H3

InChIKey

WPDXVLVDHUDHPC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 591
Patents: 232.13107 Da
Monoisotopic Mass: 0.6
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]+	233.138346	153.3
[M+Na]+	255.120288	158.7
[M-H]-	231.123794	152.7
[M+NH4]+	250.164893	171.1
[M+K]+	271.094228	158.8
[M+H-H2O]+	215.128330	147.3
[M+HCOO]-	277.129271	176.1
[M+CH3COO]-	291.144921	190.5
[M+Na-2H]-	253.105736	156.7
[M]+	232.13052142	161.7
[M]-	232.13161858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe