CID 170752

45103-58-0

Structural Information

Molecular Formula

C₉H₁₆O₄

SMILES

CC(=C)C(=O)OCCOCCOC

InChI

InChI=1S/C9H16O4/c1-8(2)9(10)13-7-6-12-5-4-11-3/h1,4-7H2,2-3H3

InChIKey

DAVVKEZTUOGEAK-UHFFFAOYSA-N

Compound name

2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 27
References: 8816
Patents: 188.10486 Da
Monoisotopic Mass: 0.9
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]+	189.112136	141.9
[M+Na]+	211.094078	148.1
[M-H]-	187.097584	141.9
[M+NH4]+	206.138683	161.6
[M+K]+	227.068018	148.7
[M+H-H2O]+	171.102120	136.7
[M+HCOO]-	233.103061	164.2
[M+CH3COO]-	247.118711	183.4
[M+Na-2H]-	209.079526	145.0
[M]+	188.10431142	147.5
[M]-	188.10540858	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe