CID 162388

39670-09-2

Structural Information

Molecular Formula

C₁₂H₂₂O₅

SMILES

CCOCCOCCOCCOC(=O)C(=C)C

InChI

InChI=1S/C12H22O5/c1-4-14-5-6-15-7-8-16-9-10-17-12(13)11(2)3/h2,4-10H2,1,3H3

InChIKey

RBFPEAGEJJSYCX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2864
Patents: 246.14673 Da
Monoisotopic Mass: 1.1
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]+	247.154006	158.4
[M+Na]+	269.135948	163.2
[M-H]-	245.139454	157.7
[M+NH4]+	264.180553	175.6
[M+K]+	285.109888	163.6
[M+H-H2O]+	229.143990	152.3
[M+HCOO]-	291.144931	179.9
[M+CH3COO]-	305.160581	194.3
[M+Na-2H]-	267.121396	160.0
[M]+	246.14618142	166.5
[M]-	246.14727858	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe