CID 90558

2-carboxyethyl acrylate

Structural Information

Molecular Formula

C₆H₈O₄

SMILES

C=CC(=O)OCCC(=O)O

InChI

InChI=1S/C6H8O4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H,7,8)

InChIKey

CYUZOYPRAQASLN-UHFFFAOYSA-N

Compound name

3-prop-2-enoyloxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 45318
Patents: 144.04225 Da
Monoisotopic Mass: 0.2
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]+	145.04953	127.1
[M+Na]+	167.03147	134.3
[M-H]-	143.03497	126.2
[M+NH4]+	162.07607	147.7
[M+K]+	183.00541	134.2
[M+H-H2O]+	127.03951	122.7
[M+HCOO]-	189.04045	149.0
[M+CH3COO]-	203.05610	170.8
[M+Na-2H]-	165.01692	131.3
[M]+	144.04170	128.8
[M]-	144.04280	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe