CID 5709609

(e)-3-ethoxyacrylic acid

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

CCO/C=C/C(=O)O

InChI

InChI=1S/C5H8O3/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+

InChIKey

SYMAGJYJMLUEQE-ONEGZZNKSA-N

Compound name

(E)-3-ethoxyprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 349
Patents: 116.04734 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]+	117.054616	121.2
[M+Na]+	139.036558	128.8
[M-H]-	115.040064	120.4
[M+NH4]+	134.081163	143.2
[M+K]+	155.010498	128.6
[M+H-H2O]+	99.044600	117.1
[M+HCOO]-	161.045541	144.0
[M+CH3COO]-	175.061191	165.7
[M+Na-2H]-	137.022006	127.1
[M]+	116.04679142	122.4
[M]-	116.04788858	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe