CID 3016467

48067-72-7

Structural Information

Molecular Formula

C₁₀H₁₈O₅

SMILES

COCCOCCOCCOC(=O)C=C

InChI

InChI=1S/C10H18O5/c1-3-10(11)15-9-8-14-7-6-13-5-4-12-2/h3H,1,4-9H2,2H3

InChIKey

NMLCFUMBGQIRJX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3450
Patents: 218.11542 Da
Monoisotopic Mass: 0.3
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]+	219.122696	148.6
[M+Na]+	241.104638	154.5
[M-H]-	217.108144	148.2
[M+NH4]+	236.149243	167.1
[M+K]+	257.078578	154.9
[M+H-H2O]+	201.112680	142.8
[M+HCOO]-	263.113621	171.8
[M+CH3COO]-	277.129271	187.5
[M+Na-2H]-	239.090086	152.6
[M]+	218.11487142	156.7
[M]-	218.11596858	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe