CID 210152

Carbethoxymethyl acrylate

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

CCOC(=O)COC(=O)C=C

InChI

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

InChIKey

CGGLGGHHEKSTQY-UHFFFAOYSA-N

Compound name

(2-ethoxy-2-oxoethyl) prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 158.0579 Da
Monoisotopic Mass: 1.0
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	130.9
[M+Na]+	181.047118	138.3
[M-H]-	157.050624	131.4
[M+NH4]+	176.091723	151.8
[M+K]+	197.021058	138.9
[M+H-H2O]+	141.055160	126.3
[M+HCOO]-	203.056101	154.1
[M+CH3COO]-	217.071751	175.7
[M+Na-2H]-	179.032566	135.2
[M]+	158.05735142	135.0
[M]-	158.05844858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe