CID 5323651

Methyl 3-methoxyacrylate

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

CO/C=C/C(=O)OC

InChI

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

InChIKey

AUTCCPQKLPMHDN-ONEGZZNKSA-N

Compound name

methyl (E)-3-methoxyprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1542
Patents: 116.04734 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]+	117.05462	120.3
[M+Na]+	139.03656	128.5
[M-H]-	115.04006	121.0
[M+NH4]+	134.08116	143.1
[M+K]+	155.01050	129.3
[M+H-H2O]+	99.044600	116.1
[M+HCOO]-	161.04554	144.7
[M+CH3COO]-	175.06119	167.7
[M+Na-2H]-	137.02201	126.9
[M]+	116.04679	123.5
[M]-	116.04789	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe