CID 3033797

Peroxyacrylic acid, 2-methoxyethyl ester

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

COCCOOC(=O)C=C

InChI

InChI=1S/C6H10O4/c1-3-6(7)10-9-5-4-8-2/h3H,1,4-5H2,2H3

InChIKey

QRAMCOHEOKVHHB-UHFFFAOYSA-N

Compound name

2-methoxyethyl prop-2-eneperoxoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 146.0579 Da
Monoisotopic Mass: 0.6
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]+	147.065176	127.5
[M+Na]+	169.047118	135.1
[M-H]-	145.050624	127.9
[M+NH4]+	164.091723	149.0
[M+K]+	185.021058	136.1
[M+H-H2O]+	129.055160	122.8
[M+HCOO]-	191.056101	151.8
[M+CH3COO]-	205.071751	173.5
[M+Na-2H]-	167.032566	133.6
[M]+	146.05735142	132.6
[M]-	146.05844858	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe