CID 25860

Methacrylic acid, carbomethoxymethyl ester

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

CC(=C)C(=O)OCOCC=O

InChI

InChI=1S/C7H10O4/c1-6(2)7(9)11-5-10-4-3-8/h3H,1,4-5H2,2H3

InChIKey

NRSZKYOGFLBOGH-UHFFFAOYSA-N

Compound name

2-oxoethoxymethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 158.0579 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]+	159.065176	130.7
[M+Na]+	181.047118	138.0
[M-H]-	157.050624	131.1
[M+NH4]+	176.091723	151.6
[M+K]+	197.021058	138.6
[M+H-H2O]+	141.055160	126.0
[M+HCOO]-	203.056101	153.9
[M+CH3COO]-	217.071751	176.4
[M+Na-2H]-	179.032566	135.0
[M]+	158.05735142	134.8
[M]-	158.05844858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe