CID 11858

Ethyl 2-chloroacetoacetate

Structural Information

Molecular Formula

SMILES

CCOC(=O)C(C(=O)C)Cl

InChI

InChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3

InChIKey

RDULEYWUGKOCMR-UHFFFAOYSA-N

Compound name

ethyl 2-chloro-3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 3239
Patents: 164.02402 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]+	165.03130	130.5
[M+Na]+	187.01324	140.5
[M+NH4]+	182.05784	137.5
[M+K]+	202.98718	136.7
[M-H]-	163.01674	128.5
[M+Na-2H]-	184.99869	133.2
[M]+	164.02347	131.3
[M]-	164.02457	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe