CID 118544

2-hydroxyethyl acetoacetate

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

CC(=O)CC(=O)OCCO

InChI

InChI=1S/C6H10O4/c1-5(8)4-6(9)10-3-2-7/h7H,2-4H2,1H3

InChIKey

HBVWZQCLPFPSCF-UHFFFAOYSA-N

Compound name

2-hydroxyethyl 3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 564
Patents: 146.0579 Da
Monoisotopic Mass: -0.8
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]+	147.06518	129.7
[M+Na]+	169.04712	138.3
[M+NH4]+	164.09172	135.7
[M+K]+	185.02106	135.2
[M-H]-	145.05062	126.8
[M+Na-2H]-	167.03257	131.4
[M]+	146.05735	129.6
[M]-	146.05845	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe